46943147
  -OEChem-04232404322D

 56 59  0     1  0  0  0  0  0999 V2000
    6.2619   -1.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    4.2631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.5924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.0670    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.7619    2.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.6651    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    4.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -4.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -4.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869    1.1976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869    0.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445    1.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542    2.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368    0.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368    1.1976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -0.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445   -0.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    2.7431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    3.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869   -0.5345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869   -1.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368   -2.1976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368   -1.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7249    1.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9519    1.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    1.3551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -3.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    4.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -3.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -4.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -4.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 15  2  0  0  0  0
  3 17  1  0  0  0  0
  3 24  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 16  1  0  0  0  0
 13 43  1  0  0  0  0
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 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 21 24  1  0  0  0  0
 21 26  2  0  0  0  0
 22 25  1  0  0  0  0
 22 50  1  0  0  0  0
 23 25  2  0  0  0  0
 23 51  1  0  0  0  0
 24 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46943147

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
545

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAEgB9AAAHwAAAAAADQTBmAwyBsMABECIAqFSEAKCCAAkIAAIiAHODMgOJjKE9T+HOSjkxhGYqYeY36LuAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl]methyl]-N-methyl-2-benzofurancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-<I>N</I>-methyl-1-benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-coumarilamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H27FN2O2/c1-26(24(28)23-15-20-9-3-5-11-22(20)29-23)16-18-7-6-13-27(17-18)14-12-19-8-2-4-10-21(19)25/h2-5,8-11,15,18H,6-7,12-14,16-17H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
NUFITHHASBWZBH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
394.20565627

> <PUBCHEM_MOLECULAR_FORMULA>
C24H27FN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
394.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CC1CCCN(C1)CCC2=CC=CC=C2F)C(=O)C3=CC4=CC=CC=C4O3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CC1CCCN(C1)CCC2=CC=CC=C2F)C(=O)C3=CC4=CC=CC=C4O3

> <PUBCHEM_CACTVS_TPSA>
36.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.20565627

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
16  18  8
16  19  8
17  20  8
18  22  8
19  23  8
20  21  8
21  24  8
21  26  8
22  25  8
23  25  8
24  27  8
26  28  8
27  29  8
28  29  8
3  17  8
3  24  8
6  11  3

$$$$