63257257
  -OEChem-04232404182D

 33 34  0     0  0  0  0  0  0999 V2000
    6.0010   -3.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7500    0.0000 N   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
    6.0010    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.2500    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
    4.2690   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 21 31  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
63257257

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
388

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAUAAAADAiBmAgwwILQQACJAiVSUwCCAAAhAgAoiAEAdIoIYDLAlZGUIAhglADIyAcciICOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-amino-5-fluoro-phenyl)-2-(2-nitrophenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-amino-5-fluorophenyl)-2-(2-nitrophenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-amino-5-fluorophenyl)-2-(2-nitrophenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2-amino-5-fluorophenyl)-2-(2-nitrophenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-azanyl-5-fluoranyl-phenyl)-2-(2-nitrophenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-amino-5-fluoro-phenyl)-2-(2-nitrophenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12FN3O3/c15-10-5-6-11(16)12(8-10)17-14(19)7-9-3-1-2-4-13(9)18(20)21/h1-6,8H,7,16H2,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
GJGWYNVQUVCKDE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
289.08626942

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
289.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)CC(=O)NC2=C(C=CC(=C2)F)N)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)CC(=O)NC2=C(C=CC(=C2)F)N)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
289.08626942

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
12  14  8
12  16  8
13  17  8
14  19  8
15  18  8
16  20  8
17  18  8
19  21  8
20  21  8
9  10  8
9  13  8

$$$$