
 CHEMBL608130

 41 42  0  0  0  0  0  0  0  0999 V2000
   -0.5708   -1.4647    1.3664 C   0  0  0  0  0
    0.9648   -1.4908    1.4307 C   0  0  0  0  0
    1.4791   -2.1482    0.1402 C   0  0  0  0  0
    1.5773   -0.0708    1.6295 C   0  0  0  0  0
    0.9492    0.6777    2.8041 C   0  0  0  0  0
    0.2598    1.8809    2.5876 C   0  0  0  0  0
   -0.3162    2.5673    3.6593 C   0  0  0  0  0
   -0.2085    2.0557    4.9508 C   0  0  0  0  0
    0.4753    0.8654    5.1827 C   0  0  0  0  0
    1.0555    0.1800    4.1139 C   0  0  0  0  0
   -0.9255    2.8996    6.2669 Cl  0  0  0  0  0
    3.1076   -0.1152    1.8268 C   0  0  0  0  0
    3.7284   -1.1358    2.1046 O   0  0  0  0  0
    3.7250    1.1150    1.6877 N   0  0  0  0  0
    5.1273    1.2627    1.9973 C   0  0  0  0  0
    5.6460    2.5964    1.5308 C   0  0  0  0  0
    5.9202    2.8096    0.1718 C   0  0  0  0  0
    6.4013    4.0431   -0.2697 C   0  0  0  0  0
    6.6070    5.0775    0.6407 C   0  0  0  0  0
    6.3265    4.8814    1.9922 C   0  0  0  0  0
    5.8445    3.6482    2.4358 C   0  0  0  0  0
   -1.0126   -1.0987    2.2974 H   0  0  0  0  0
   -0.9665   -2.4730    1.2033 H   0  0  0  0  0
   -0.9212   -0.8285    0.5470 H   0  0  0  0  0
    1.2532   -2.1366    2.2706 H   0  0  0  0  0
    1.2180   -1.5499   -0.7388 H   0  0  0  0  0
    1.0373   -3.1425    0.0129 H   0  0  0  0  0
    2.5642   -2.2776    0.1510 H   0  0  0  0  0
    1.3981    0.5007    0.7072 H   0  0  0  0  0
    0.1574    2.2897    1.5850 H   0  0  0  0  0
   -0.8517    3.4967    3.4800 H   0  0  0  0  0
    0.5599    0.4638    6.1889 H   0  0  0  0  0
    1.5895   -0.7490    4.3102 H   0  0  0  0  0
    3.1492    1.9455    1.7422 H   0  0  0  0  0
    5.6954    0.4495    1.5303 H   0  0  0  0  0
    5.2462    1.1531    3.0820 H   0  0  0  0  0
    5.7636    2.0087   -0.5484 H   0  0  0  0  0
    6.6186    4.1953   -1.3239 H   0  0  0  0  0
    6.9868    6.0364    0.2975 H   0  0  0  0  0
    6.4875    5.6893    2.7017 H   0  0  0  0  0
    5.6328    3.5124    3.4940 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 33  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL608130

>  <PubChem CID>
8713297

>  <Formula>
C18H20ClNO

>  <Molecular Weight>
301.814000

>  <IUPAC Name>
(2S)-N-benzyl-2-(4-chlorophenyl)-3-methylbutanamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NCC2=CC=CC=C2

>  <Isomeric SMILES>
CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)NCC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C18H20ClNO/c1-13(2)17(15-8-10-16(19)11-9-15)18(21)20-12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,21)/t17-/m0/s1

>  <InChI Key>
FPSXSRFSUOEGIX-KRWDZBQOSA-N

