58918849
  -OEChem-04242401072D

 48 48  0     1  0  0  0  0  0999 V2000
    4.2690    2.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690    3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8766    4.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1864    3.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690    2.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890    3.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690    4.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 19  2  0  0  0  0
  8 19  1  0  0  0  0
  8 22  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 18  1  1  0  0  0
 10 19  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 23  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58918849

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
443

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OYIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwgQACAADQChmBYyAILAARCIQiFSEIACAAAgAAAIiIEIAIgIIDKAkRCEIAAgkgAIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-N,2-dimethyl-propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-N,2-dimethylpropanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-<I>N</I>,2-dimethylpropanamide

> <PUBCHEM_IUPAC_NAME>
(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-N,2-dimethylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-3-[4-[diethoxyphosphoryl-bis(fluoranyl)methyl]phenyl]-N,2-dimethyl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-N,2-dimethyl-propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H24F2NO4P/c1-5-22-24(21,23-6-2)16(17,18)14-9-7-13(8-10-14)11-12(3)15(20)19-4/h7-10,12H,5-6,11H2,1-4H3,(H,19,20)/t12-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
STRMGRGAZLPVCQ-LBPRGKRZSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
363.14110157

> <PUBCHEM_MOLECULAR_FORMULA>
C16H24F2NO4P

> <PUBCHEM_MOLECULAR_WEIGHT>
363.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=O)(C(C1=CC=C(C=C1)CC(C)C(=O)NC)(F)F)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=O)(C(C1=CC=C(C=C1)C[C@H](C)C(=O)NC)(F)F)OCC

> <PUBCHEM_CACTVS_TPSA>
64.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
363.14110157

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
10  18  5
11  14  8
11  15  8
13  16  8
13  17  8
14  16  8
15  17  8

$$$$