65433981
  -OEChem-05102403132D

 32 33  0     0  0  0  0  0  0999 V2000
    2.8660    1.9050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    1.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 15  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 18  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 22  1  0  0  0  0
 14 19  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65433981

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
343

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMYAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADAyBmAoyxoLABACIAiVSUACCCAAlIgAIiAEGbMgMJjbEtZuEMWhm9BHI6QeYyCCOAACAAAAIAAAAAQAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-amino-2-fluoro-phenyl)-2-fluoro-6-methoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-amino-2-fluorophenyl)-2-fluoro-6-methoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-amino-2-fluorophenyl)-2-fluoro-6-methoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-(4-amino-2-fluorophenyl)-2-fluoro-6-methoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-azanyl-2-fluoranyl-phenyl)-2-fluoranyl-6-methoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-amino-2-fluoro-phenyl)-2-fluoro-6-methoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12F2N2O2/c1-20-12-4-2-3-9(15)13(12)14(19)18-11-6-5-8(17)7-10(11)16/h2-7H,17H2,1H3,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
CYQMKXYAQALUNE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
278.08668395

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12F2N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
278.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C(=CC=C1)F)C(=O)NC2=C(C=C(C=C2)N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C(=CC=C1)F)C(=O)NC2=C(C=C(C=C2)N)F

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.08668395

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
11  18  8
12  16  8
13  17  8
14  19  8
15  16  8
15  17  8
18  19  8
7  11  8
7  9  8
8  12  8
8  13  8
9  14  8

$$$$