49790197
  -OEChem-05092402102D

 50 53  0     0  0  0  0  0  0999 V2000
   11.5867    4.0648    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2510    5.5534    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    1.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    2.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    0.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976    2.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6512    3.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6082    3.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9619    4.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9404    4.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    0.9466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -3.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -2.4457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.7566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7116    2.4466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0445    3.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5478    4.8581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.5903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -5.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.1734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -5.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 29  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4 16  2  0  0  0  0
  5 24  1  0  0  0  0
  5 30  1  0  0  0  0
  6 25  1  0  0  0  0
  6 31  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 18  2  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 18  1  0  0  0  0
 15 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 27  1  0  0  0  0
 20 39  1  0  0  0  0
 21 28  2  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 26  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 43  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49790197

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
608

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OYAAAAAAAAAAAAAAAAAAASAAAAAwYMAAAAAAAEgB9AAAHwAQAAAADAThmA4yBsLABECIAqlSkACCCAAkIAAIiIEOjMgNJj6MtRuGOWrm5hGKqYe42PKOoAADAAAIQABAAAYAABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(3,4-difluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(3,4-difluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-7-benzofurancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(3,4-difluorophenyl)-<I>N</I>-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-(3,4-difluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[3,4-bis(fluoranyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(3,4-difluorophenyl)-N-veratryl-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H19F2NO4/c1-29-21-9-6-14(10-22(21)30-2)12-27-24(28)17-5-3-4-16-18(13-31-23(16)17)15-7-8-19(25)20(26)11-15/h3-11,13H,12H2,1-2H3,(H,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
NQCGVHYXVKOEFX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
423.12821441

> <PUBCHEM_MOLECULAR_FORMULA>
C24H19F2NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
423.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC3=C2OC=C3C4=CC(=C(C=C4)F)F)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC3=C2OC=C3C4=CC(=C(C=C4)F)F)OC

> <PUBCHEM_CACTVS_TPSA>
60.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
423.12821441

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  14  8
11  15  8
12  20  8
12  21  8
13  18  8
15  18  8
19  22  8
19  23  8
20  27  8
21  28  8
22  24  8
23  26  8
24  25  8
25  26  8
27  29  8
28  29  8
3  14  8
3  9  8
8  10  8
8  13  8
8  9  8
9  11  8

$$$$