65434555
  -OEChem-04262413382D

 32 33  0     0  0  0  0  0  0999 V2000
    6.3301   -1.9050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    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
    5.4641    0.5950    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
    4.5981   -0.9050    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    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0950    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
    5.4641    2.5950    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
    4.5981    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0950    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
    2.0000   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7850    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
    6.0010   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.4050    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
    6.0010    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5 14  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 12 17  2  0  0  0  0
 12 22  1  0  0  0  0
 13 18  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65434555

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
306

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADAyBmAoyxoLABACIAiVSUACCCAAlIgAIiAEGbMgMJjbEtZuEMWhm9BHI6QeYyCCOAACAAAAIAAAAAQAAABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13FN2O2/c1-19-12-4-2-3-11(15)13(12)14(18)17-10-7-5-9(16)6-8-10/h2-8H,16H2,1H3,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
XCLAHLSFPIWOOX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
260.09610582

> <PUBCHEM_MOLECULAR_FORMULA>
C14H13FN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
260.26

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

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

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.09610582

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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
11  16  8
12  17  8
13  18  8
14  16  8
14  17  8
15  18  8
6  10  8
6  8  8
7  11  8
7  12  8
8  13  8

$$$$