
 CHEMBL3633884

 39 40  0  0  0  0  0  0  0  0999 V2000
    2.8458    1.2830    3.4917 C   0  0  0  0  0
    3.3216    1.1531    2.0437 C   0  0  0  0  0
    2.8224   -0.0840    1.3154 C   0  0  0  0  0
    3.6064   -0.6174    0.2766 C   0  0  0  0  0
    3.1970   -1.7541   -0.4232 C   0  0  0  0  0
    1.9910   -2.3711   -0.1034 C   0  0  0  0  0
    1.1913   -1.8455    0.9085 C   0  0  0  0  0
    1.6003   -0.7074    1.6096 C   0  0  0  0  0
    2.9470    2.3410    1.2965 N   0  0  0  0  0
    3.8628    3.1954    0.7304 C   0  0  0  0  0
    5.0781    3.0466    0.8353 O   0  0  0  0  0
    3.2650    4.3830   -0.0356 C   0  0  0  0  0
    1.8189    4.3150   -0.2183 N   0  0  0  0  0
    0.9562    5.1381    0.4669 C   0  0  0  0  0
    1.3271    6.0022    1.2531 O   0  0  0  0  0
   -0.4955    4.9922    0.1780 C   0  0  0  0  0
   -1.1577    3.7626    0.0272 C   0  0  0  0  0
   -2.5386    3.7594   -0.2383 C   0  0  0  0  0
   -3.2483    4.9607   -0.3389 C   0  0  0  0  0
   -2.5935    6.1771   -0.1698 C   0  0  0  0  0
   -1.2246    6.1922    0.0910 C   0  0  0  0  0
   -3.4411    2.2968   -0.4476 Cl  0  0  0  0  0
   -0.3181    2.2560    0.2180 Cl  0  0  0  0  0
    3.3272    2.1406    3.9753 H   0  0  0  0  0
    3.0916    0.3862    4.0707 H   0  0  0  0  0
    1.7647    1.4488    3.5565 H   0  0  0  0  0
    4.4163    1.0877    2.0881 H   0  0  0  0  0
    4.5515   -0.1447    0.0117 H   0  0  0  0  0
    3.8220   -2.1577   -1.2155 H   0  0  0  0  0
    1.6731   -3.2589   -0.6436 H   0  0  0  0  0
    0.2460   -2.3228    1.1545 H   0  0  0  0  0
    0.9463   -0.3221    2.3871 H   0  0  0  0  0
    1.9631    2.5271    1.1500 H   0  0  0  0  0
    3.7086    4.3957   -1.0361 H   0  0  0  0  0
    3.5415    5.3003    0.4933 H   0  0  0  0  0
    1.4616    3.6179   -0.8616 H   0  0  0  0  0
   -4.3183    4.9523   -0.5390 H   0  0  0  0  0
   -3.1484    7.1111   -0.2346 H   0  0  0  0  0
   -0.7203    7.1491    0.2290 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  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 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633884

>  <PubChem CID>
122195641

>  <Formula>
C17H16Cl2N2O2

>  <Molecular Weight>
351.227000

>  <IUPAC Name>
2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C17H16Cl2N2O2/c1-11(12-6-3-2-4-7-12)21-15(22)10-20-17(23)13-8-5-9-14(18)16(13)19/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1

>  <InChI Key>
NXGVAKZDTBDDGF-NSHDSACASA-N

