63257393
  -OEChem-04232416562D

 30 31  0     0  0  0  0  0  0999 V2000
    3.4030    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7331    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 C   0  0  0  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
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    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
    6.0010    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7500    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
    5.1350   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 25  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
63257393

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
407

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwIUAAAADAqBmCgwwILQQACJAiVSUwCCAAAlBwAoiAEAZsoIIDLB19GEIQhglADIzYcciACOAABAQAQBAAAAAICACAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-amino-4-fluoro-phenyl)-2-chloro-5-nitro-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-amino-4-fluorophenyl)-2-chloro-5-nitrobenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-amino-4-fluorophenyl)-2-chloro-5-nitrobenzamide

> <PUBCHEM_IUPAC_NAME>
N-(3-amino-4-fluorophenyl)-2-chloro-5-nitrobenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-azanyl-4-fluoranyl-phenyl)-2-chloranyl-5-nitro-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-amino-4-fluoro-phenyl)-2-chloro-5-nitro-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H9ClFN3O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-7-1-4-11(15)12(16)5-7/h1-6H,16H2,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
GVNQQZXUBIABHW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
309.0316470

> <PUBCHEM_MOLECULAR_FORMULA>
C13H9ClFN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
309.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N)F

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
309.0316470

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

$$$$