
 CHEMBL467485

 41 43  0  0  0  0  0  0  0  0999 V2000
    6.8948    1.2275   -0.0906 C   0  0  0  0  0
    5.9716    0.1440    0.3821 C   0  0  0  0  0
    6.1917   -1.1111   -0.0853 N   0  0  0  0  0
    5.3776   -2.0996    0.3442 C   0  0  0  0  0
    4.3176   -1.8676    1.2108 C   0  0  0  0  0
    4.0934   -0.5719    1.6684 C   0  0  0  0  0
    4.9310    0.4524    1.2516 C   0  0  0  0  0
    5.6889   -3.3506   -0.1961 N   0  0  0  0  0
    5.1275   -4.5632    0.1384 C   0  0  0  0  0
    4.3508   -4.7527    1.0681 O   0  0  0  0  0
    5.4865   -5.7386   -0.7232 C   0  0  0  0  0
    6.0634   -5.6187   -1.9843 C   0  0  0  0  0
    6.2089   -6.7590   -2.7670 C   0  0  0  0  0
    5.7737   -8.0112   -2.3334 C   0  0  0  0  0
    5.2235   -8.1789   -1.0558 C   0  0  0  0  0
    5.1135   -7.0170   -0.2614 C   0  0  0  0  0
    4.6900   -9.4817   -0.5663 C   0  0  0  0  0
    3.4567   -9.4785    0.1303 C   0  0  0  0  0
    2.8817  -10.6424    0.6447 C   0  0  0  0  0
    3.5127  -11.8602    0.4555 C   0  0  0  0  0
    4.7187  -11.9067   -0.2383 C   0  0  0  0  0
    5.3292  -10.7350   -0.7375 C   0  0  0  0  0
    6.6425  -10.9105   -1.4534 C   0  0  0  0  0
    6.7419   -6.6444   -3.9923 F   0  0  0  0  0
    6.3584    1.9193   -0.7475 H   0  0  0  0  0
    7.7371    0.8042   -0.6475 H   0  0  0  0  0
    7.2987    1.7816    0.7628 H   0  0  0  0  0
    3.6508   -2.6550    1.5350 H   0  0  0  0  0
    3.2679   -0.3687    2.3450 H   0  0  0  0  0
    4.7753    1.4679    1.6016 H   0  0  0  0  0
    6.4512   -3.2896   -0.8517 H   0  0  0  0  0
    6.3590   -4.6687   -2.4142 H   0  0  0  0  0
    5.8482   -8.8398   -3.0292 H   0  0  0  0  0
    4.6844   -7.0984    0.7390 H   0  0  0  0  0
    2.9125   -8.5458    0.2802 H   0  0  0  0  0
    1.9412  -10.5895    1.1862 H   0  0  0  0  0
    3.0701  -12.7723    0.8461 H   0  0  0  0  0
    5.1951  -12.8749   -0.3824 H   0  0  0  0  0
    7.3542  -10.1265   -1.1795 H   0  0  0  0  0
    6.4850  -10.9173   -2.5363 H   0  0  0  0  0
    7.1135  -11.8642   -1.1882 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
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 17 18  2  0  0  0
 17 22  1  0  0  0
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 19 20  2  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
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 23 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL467485

>  <PubChem CID>
44157094

>  <Formula>
C20H17FN2O

>  <Molecular Weight>
320.367000

>  <IUPAC Name>
3-fluoro-5-(2-methylphenyl)-N-(6-methylpyridin-2-yl)benzamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC(=CC=C1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C)F

>  <Isomeric SMILES>
CC1=NC(=CC=C1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3C)F

>  <InChI Std. ID>
InChI=1S/C20H17FN2O/c1-13-6-3-4-8-18(13)15-10-16(12-17(21)11-15)20(24)23-19-9-5-7-14(2)22-19/h3-12H,1-2H3,(H,22,23,24)

>  <InChI Key>
CJCKZKHIPRLAKA-UHFFFAOYSA-N

