65434762
  -OEChem-05132404102D

 38 39  0     1  0  0  0  0  0999 V2000
    6.3301   -2.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    4.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    3.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  2  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65434762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADCzBmA4yxoLABACIAiVSUACCCAAlIgAIiIEGbMgMJjbEtZuEMWhm9BHI6QeYyKCOCAAAAAAIAAAQAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(1-azanylethyl)phenyl]-2-fluoranyl-6-methoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(1-aminoethyl)phenyl]-2-fluoro-6-methoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H17FN2O2/c1-10(18)11-6-8-12(9-7-11)19-16(20)15-13(17)4-3-5-14(15)21-2/h3-10H,18H2,1-2H3,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
XXJCRAGQIFSPEW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
288.12740595

> <PUBCHEM_MOLECULAR_FORMULA>
C16H17FN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
288.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)OC)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2F)OC)N

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.12740595

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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
14  16  8
14  17  8
16  18  8
17  19  8
18  20  8
19  20  8
6  5  3
7  10  8
7  9  8
8  12  8
8  13  8
9  12  8

$$$$