
 CHEMBL594744

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.3831   -0.9178   -1.0491 C   0  0  0  0  0
    2.1063   -0.5954    0.4249 C   0  0  0  0  0
    2.4114   -1.8222    1.2901 C   0  0  0  0  0
    2.8106    0.7268    0.8430 C   0  0  0  0  0
    2.3157    1.2442    2.1922 C   0  0  0  0  0
    1.2111    2.1117    2.2398 C   0  0  0  0  0
    0.7276    2.5837    3.4628 C   0  0  0  0  0
    1.3383    2.1858    4.6493 C   0  0  0  0  0
    2.4290    1.3217    4.6230 C   0  0  0  0  0
    2.9161    0.8530    3.4001 C   0  0  0  0  0
    0.7362    2.7610    6.1547 Cl  0  0  0  0  0
    4.3525    0.7044    0.7618 C   0  0  0  0  0
    5.0097   -0.3199    0.9078 O   0  0  0  0  0
    4.8888    1.9648    0.5317 N   0  0  0  0  0
    6.2554    2.2902    0.3950 C   0  0  0  0  0
    7.3154    1.4008    0.5505 C   0  0  0  0  0
    8.6235    1.7426    0.4104 N   0  0  0  0  0
    8.8897    3.0259    0.0968 C   0  0  0  0  0
    7.9110    3.9876   -0.0808 C   0  0  0  0  0
    6.5776    3.6115    0.0751 C   0  0  0  0  0
    2.0835   -0.0832   -1.6915 H   0  0  0  0  0
    1.8142   -1.7982   -1.3662 H   0  0  0  0  0
    3.4429   -1.1220   -1.2283 H   0  0  0  0  0
    1.0230   -0.4253    0.5063 H   0  0  0  0  0
    3.4529   -2.1437    1.2082 H   0  0  0  0  0
    1.7916   -2.6688    0.9719 H   0  0  0  0  0
    2.1854   -1.6433    2.3444 H   0  0  0  0  0
    2.5010    1.4738    0.0948 H   0  0  0  0  0
    0.7107    2.4219    1.3244 H   0  0  0  0  0
   -0.1281    3.2535    3.4834 H   0  0  0  0  0
    2.9015    1.0022    5.5481 H   0  0  0  0  0
    3.7623    0.1664    3.4051 H   0  0  0  0  0
    4.2366    2.7347    0.4452 H   0  0  0  0  0
    7.1705    0.3573    0.8069 H   0  0  0  0  0
    9.9431    3.2681   -0.0116 H   0  0  0  0  0
    8.1793    5.0064   -0.3359 H   0  0  0  0  0
    5.8033    4.3603   -0.0660 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL594744

>  <PubChem CID>
46226142

>  <Formula>
C16H17ClN2O

>  <Molecular Weight>
288.775000

>  <IUPAC Name>
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=CN=CC=C2

>  <Isomeric SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=CN=CC=C2

>  <InChI Std. ID>
InChI=1S/C16H17ClN2O/c1-11(2)15(12-5-7-13(17)8-6-12)16(20)19-14-4-3-9-18-10-14/h3-11,15H,1-2H3,(H,19,20)

>  <InChI Key>
ILCJEENXGVKZEJ-UHFFFAOYSA-N

