71777
  -OEChem-06181323272D

 40 41  0     1  0  0  0  0  0999 V2000
    6.4641   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -4.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.6340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 17  1  0  0  0  0
  6 20  1  0  0  0  0
  7 20  1  0  0  0  0
  8 20  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 25  2  0  0  0  0
 13 27  2  0  0  0  0
 14 19  1  0  0  0  0
 14 25  1  0  0  0  0
 14 36  1  0  0  0  0
 15 25  1  0  0  0  0
 15 27  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 24 35  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 38  1  0  0  0  0
 31 32  1  0  0  0  0
 31 39  1  0  0  0  0
 32 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71777

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
677

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7McAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwIQAAAADA6BmDgxxoLABACIAiVSUACCCAAlJ0AIiAEGb8iMJjPFt5vGOSjs1TNI6Se4yACOAEAQAQIACBAAgCACBAAQIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluoro-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)anilino]-oxomethyl]-2,6-difluorobenzamide

> <PUBCHEM_IUPAC_NAME>
N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[2,5-bis(chloranyl)-4-[1,1,2,3,3,3-hexakis(fluoranyl)propoxy]phenyl]carbamoyl]-2,6-bis(fluoranyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluoro-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)

> <PUBCHEM_IUPAC_INCHIKEY>
PWPJGUXAGUPAHP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
6.4

> <PUBCHEM_EXACT_MASS>
509.978423

> <PUBCHEM_MOLECULAR_FORMULA>
C17H8Cl2F8N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
511.150246

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
509.978423

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
18  21  8
18  22  8
19  23  8
19  24  8
21  24  8
22  23  8
26  28  8
26  29  8
28  30  8
29  31  8
16  3  3
30  32  8
31  32  8

$$$$