60564482
  -OEChem-04192422152D

 39 41  0     0  0  0  0  0  0999 V2000
   13.7619   -1.5630    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.8398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.0350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    0.3811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -0.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.4291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719    1.5720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -0.1601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519   -0.1601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519   -2.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719   -0.1601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719   -2.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 29  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 30  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 31  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60564482

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
454

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHwAQAAAADAjBngwx0LbJkACoAyVydACCgC2lEqAJmaE4dNiIaLrA3ZGUIQholwLIyacYiACOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(1H-benzimidazol-2-ylamino)-3-oxo-propyl]-4-fluoro-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(1<I>H</I>-benzimidazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(1H-benzimidazol-2-ylamino)-3-oxidanylidene-propyl]-4-fluoranyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(1H-benzimidazol-2-ylamino)-3-keto-propyl]-4-fluoro-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H15FN4O2/c18-12-7-5-11(6-8-12)16(24)19-10-9-15(23)22-17-20-13-3-1-2-4-14(13)21-17/h1-8H,9-10H2,(H,19,24)(H2,20,21,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
MIICWCFZDATINM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.1

> <PUBCHEM_EXACT_MASS>
326.11790390

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15FN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
326.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
86.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.11790390

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  14  8
12  15  8
14  18  8
15  19  8
17  20  8
17  21  8
18  19  8
20  22  8
21  23  8
22  24  8
23  24  8
4  10  8
4  11  8
7  11  8
7  12  8

$$$$