
 CHEMBL3633892

 40 41  0  0  0  0  0  0  0  0999 V2000
    1.9549   -0.3373   -0.0266 C   0  0  0  0  0
    3.0158   -0.3749   -1.1310 C   0  0  0  0  0
    2.4688   -0.3741   -2.5461 C   0  0  0  0  0
    3.2285   -0.9890   -3.5576 C   0  0  0  0  0
    2.7858   -1.0026   -4.8810 C   0  0  0  0  0
    1.5809   -0.3933   -5.2163 C   0  0  0  0  0
    0.8231    0.2359   -4.2304 C   0  0  0  0  0
    1.2664    0.2518   -2.9048 C   0  0  0  0  0
    3.9389    0.7300   -0.9737 N   0  0  0  0  0
    5.1433    0.6233   -0.3225 C   0  0  0  0  0
    5.5765   -0.4275    0.1435 O   0  0  0  0  0
    5.9476    1.9272   -0.2704 C   0  0  0  0  0
    5.0633    3.1026   -0.4345 N   0  0  0  0  0
    5.8600    4.3315   -0.4148 C   0  0  0  0  0
    5.0081    5.5638   -0.6231 C   0  0  0  0  0
    4.0042    5.5952   -1.6049 C   0  0  0  0  0
    3.2582    6.7551   -1.8153 C   0  0  0  0  0
    3.5107    7.9029   -1.0686 C   0  0  0  0  0
    4.5171    7.8911   -0.1036 C   0  0  0  0  0
    5.2626    6.7299    0.1156 C   0  0  0  0  0
    2.0215    6.7695   -3.0121 Cl  0  0  0  0  0
    2.4221   -0.4507    0.9579 H   0  0  0  0  0
    1.2268   -1.1468   -0.1502 H   0  0  0  0  0
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    1.2342   -0.4028   -6.2459 H   0  0  0  0  0
   -0.1144    0.7184   -4.4941 H   0  0  0  0  0
    0.6562    0.7614   -2.1642 H   0  0  0  0  0
    3.6969    1.6499   -1.3329 H   0  0  0  0  0
    6.6909    1.8868   -1.0744 H   0  0  0  0  0
    6.4551    1.9688    0.7002 H   0  0  0  0  0
    4.4184    3.1296    0.3567 H   0  0  0  0  0
    6.6198    4.3137   -1.2066 H   0  0  0  0  0
    6.3801    4.4080    0.5487 H   0  0  0  0  0
    3.8069    4.7109   -2.2076 H   0  0  0  0  0
    2.9341    8.8077   -1.2375 H   0  0  0  0  0
    4.7252    8.7885    0.4743 H   0  0  0  0  0
    6.0508    6.7454    0.8659 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  9  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 12  1  0  0  0
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 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633892

>  <PubChem CID>
122195647

>  <Formula>
C17H19ClN2O

>  <Molecular Weight>
302.802000

>  <IUPAC Name>
2-[(3-chlorophenyl)methylamino]-N-[(1S)-1-phenylethyl]acetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC=C1)NC(=O)CNCC2=CC(=CC=C2)Cl

>  <Isomeric SMILES>
C[C@@H](C1=CC=CC=C1)NC(=O)CNCC2=CC(=CC=C2)Cl

>  <InChI Std. ID>
InChI=1S/C17H19ClN2O/c1-13(15-7-3-2-4-8-15)20-17(21)12-19-11-14-6-5-9-16(18)10-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)/t13-/m0/s1

>  <InChI Key>
IIHXRNNXQAHPLH-ZDUSSCGKSA-N

