
 SCHEMBL1992001

 51 53  0  0  0  0  0  0  0  0999 V2000
    0.3454    4.9000   -0.1564 C   0  0  0  0  0
    1.1200    5.3969    1.0653 C   0  0  0  0  0
    1.2630    4.3476    2.1593 C   0  0  0  0  0
    0.8191    4.6492    3.4625 C   0  0  0  0  0
    0.9050    3.7050    4.4889 C   0  0  0  0  0
    1.4927    2.4664    4.2271 C   0  0  0  0  0
    1.9518    2.1568    2.9490 C   0  0  0  0  0
    1.8271    3.0868    1.9180 C   0  0  0  0  0
    0.4662    3.8640    5.7721 O   0  0  0  0  0
   -0.4184    4.9413    6.0302 C   0  0  0  0  0
   -0.9258    4.7942    7.2749 F   0  0  0  0  0
    0.2323    6.1223    5.9785 F   0  0  0  0  0
   -1.4519    4.9561    5.1603 F   0  0  0  0  0
    2.4557    6.0633    0.7093 C   0  0  0  0  0
    2.7203    7.1697    1.1830 O   0  0  0  0  0
    3.2787    5.3172   -0.1211 N   0  0  0  0  0
    4.5704    5.6618   -0.5743 C   0  0  0  0  0
    5.1834    6.8800   -0.3021 C   0  0  0  0  0
    6.4743    7.1486   -0.7637 C   0  0  0  0  0
    7.1885    6.2159   -1.5238 C   0  0  0  0  0
    6.5649    4.9918   -1.8052 C   0  0  0  0  0
    5.2719    4.7178   -1.3341 C   0  0  0  0  0
    8.5954    6.4981   -2.0374 C   0  0  0  0  0
    8.6201    7.5270   -3.1829 C   0  0  0  0  0
    8.5990    8.9760   -2.6956 C   0  0  0  0  0
    9.6218    9.2262   -1.5888 C   0  0  0  0  0
    9.4801    8.2857   -0.4812 N   0  0  0  0  0
    9.5971    6.8936   -0.9282 C   0  0  0  0  0
    0.2593    5.6951   -0.9052 H   0  0  0  0  0
   -0.6680    4.5970    0.1311 H   0  0  0  0  0
    0.8186    4.0410   -0.6411 H   0  0  0  0  0
    0.5040    6.2152    1.4693 H   0  0  0  0  0
    0.4060    5.6384    3.6480 H   0  0  0  0  0
    1.5846    1.7300    5.0221 H   0  0  0  0  0
    2.4015    1.1859    2.7563 H   0  0  0  0  0
    2.1814    2.8049    0.9313 H   0  0  0  0  0
    2.9516    4.4040   -0.4003 H   0  0  0  0  0
    4.6929    7.6580    0.2733 H   0  0  0  0  0
    6.9106    8.1088   -0.5032 H   0  0  0  0  0
    7.0822    4.2323   -2.3879 H   0  0  0  0  0
    4.8337    3.7512   -1.5651 H   0  0  0  0  0
    8.9684    5.5536   -2.4596 H   0  0  0  0  0
    7.7955    7.3570   -3.8855 H   0  0  0  0  0
    9.5484    7.3820   -3.7519 H   0  0  0  0  0
    8.8079    9.6445   -3.5390 H   0  0  0  0  0
    7.5951    9.2394   -2.3450 H   0  0  0  0  0
   10.6382    9.1742   -1.9958 H   0  0  0  0  0
    9.4838   10.2426   -1.2030 H   0  0  0  0  0
   10.1872    8.4759    0.2281 H   0  0  0  0  0
   10.6183    6.7334   -1.2984 H   0  0  0  0  0
    9.4736    6.2326   -0.0620 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 14  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 26 27  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 49  1  0  0  0
 28 50  1  0  0  0
 28 51  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1992001

>  <PubChem CID>
67239956

>  <Formula>
C21H23F3N2O2

>  <Molecular Weight>
392.422000

>  <IUPAC Name>
N-(4-piperidin-3-ylphenyl)-2-[3-(trifluoromethoxy)phenyl]propanamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C1=CC(=CC=C1)OC(F)(F)F)C(=O)NC2=CC=C(C=C2)C3CCCNC3

>  <Isomeric SMILES>
CC(C1=CC(=CC=C1)OC(F)(F)F)C(=O)NC2=CC=C(C=C2)C3CCCNC3

>  <InChI Std. ID>
InChI=1S/C21H23F3N2O2/c1-14(16-4-2-6-19(12-16)28-21(22,23)24)20(27)26-18-9-7-15(8-10-18)17-5-3-11-25-13-17/h2,4,6-10,12,14,17,25H,3,5,11,13H2,1H3,(H,26,27)

>  <InChI Key>
ARNXGGGEIAZNOF-UHFFFAOYSA-N

