59883346
  -OEChem-05132419132D

 60 61  0     1  0  0  0  0  0999 V2000
    6.3301   -6.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -5.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7101   -5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8441    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    5.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  5 13  2  0  0  0  0
  6 17  2  0  0  0  0
 10  7  1  6  0  0  0
  7 13  1  0  0  0  0
  7 39  1  0  0  0  0
  8 17  1  0  0  0  0
  8 31  1  0  0  0  0
  8 51  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  1  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 15  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 18 24  1  0  0  0  0
 18 43  1  0  0  0  0
 19 25  2  0  0  0  0
 19 44  1  0  0  0  0
 20 26  1  0  0  0  0
 20 45  1  0  0  0  0
 21 27  2  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 28  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 23 29  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59883346

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
628

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7McAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADSjBmBQyAILAAACIAiFSEAACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-3-[4-(1,1-difluoroethyl)phenyl]-N-[(1S)-1-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-(methylamino)-2-oxo-ethyl]-2-methyl-propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-3-[4-(1,1-difluoroethyl)phenyl]-N-[(2S)-3-[4-(1,1-difluoroethyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-2-methylpropanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>)-3-[4-(1,1-difluoroethyl)phenyl]-<I>N</I>-[(2<I>S</I>)-3-[4-(1,1-difluoroethyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-2-methylpropanamide

> <PUBCHEM_IUPAC_NAME>
(2R)-3-[4-(1,1-difluoroethyl)phenyl]-N-[(2S)-3-[4-(1,1-difluoroethyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-2-methylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-3-[4-[1,1-bis(fluoranyl)ethyl]phenyl]-N-[(2S)-3-[4-[1,1-bis(fluoranyl)ethyl]phenyl]-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-N-[(1S)-1-[4-(1,1-difluoroethyl)benzyl]-2-keto-2-(methylamino)ethyl]-3-[4-(1,1-difluoroethyl)phenyl]-2-methyl-propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H28F4N2O2/c1-15(13-16-5-9-18(10-6-16)23(2,25)26)21(31)30-20(22(32)29-4)14-17-7-11-19(12-8-17)24(3,27)28/h5-12,15,20H,13-14H2,1-4H3,(H,29,32)(H,30,31)/t15-,20+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HTFGIDDAOPRSQR-QRWLVFNGSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
452.20869079

> <PUBCHEM_MOLECULAR_FORMULA>
C24H28F4N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
452.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CC=C(C=C1)C(C)(F)F)C(=O)NC(CC2=CC=C(C=C2)C(C)(F)F)C(=O)NC

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H](CC1=CC=C(C=C1)C(C)(F)F)C(=O)N[C@@H](CC2=CC=C(C=C2)C(C)(F)F)C(=O)NC

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
452.20869079

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  18  8
14  19  8
15  20  8
15  21  8
18  24  8
19  25  8
20  26  8
21  27  8
22  24  8
22  25  8
23  26  8
23  27  8
10  7  6
9  16  5

$$$$