3578169
  -OEChem-06181302072D

 32 34  0     0  0  0  0  0  0999 V2000
    9.5708    0.1984    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921    2.0994    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9030    0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2136    1.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    0.7374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.6375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    1.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7318    0.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532    2.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7384    3.2268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  2  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3578169

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
382

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHwAQAAAACAjBlgw10LfMEACoASVzdACCgC0xEqAJ2CC4dJiIaKLAmbGUIAholALIyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(1-benzimidazolyl)-N-(3,4-difluorophenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(benzimidazol-1-yl)-N-[3,4-bis(fluoranyl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11F2N3O/c16-11-6-5-10(7-12(11)17)19-15(21)8-20-9-18-13-3-1-2-4-14(13)20/h1-7,9H,8H2,(H,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
GGZMEATZFWOTRI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
287.087018

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11F2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
287.264146

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)N=CN2CC(=O)NC3=CC(=C(C=C3)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)N=CN2CC(=O)NC3=CC(=C(C=C3)F)F

> <PUBCHEM_CACTVS_TPSA>
46.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.087018

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
13  16  8
14  16  8
15  17  8
15  18  8
17  19  8
18  20  8
19  21  8
20  21  8
4  10  8
4  7  8
5  10  8
5  9  8
7  11  8
7  9  8
9  13  8

$$$$