
 AC1O5EOP

 36 37  0  0  0  0  0  0  0  0999 V2000
    1.6771    0.3738   -1.7883 C   0  0  0  0  0
    2.4418    1.5281   -1.1373 C   0  0  0  0  0
    1.6862    2.8401   -1.2386 C   0  0  0  0  0
    2.2575    3.9217   -1.9292 C   0  0  0  0  0
    1.5786    5.1363   -2.0413 C   0  0  0  0  0
    0.3220    5.2892   -1.4603 C   0  0  0  0  0
   -0.2546    4.2291   -0.7639 C   0  0  0  0  0
    0.4220    3.0126   -0.6526 C   0  0  0  0  0
    2.7438    1.2226    0.2472 N   0  0  0  0  0
    3.8842    0.5935    0.6317 C   0  0  0  0  0
    4.8121    0.3166   -0.1250 O   0  0  0  0  0
    3.9848    0.2841    1.9629 N   0  0  0  0  0
    2.9898    0.2909    2.9255 C   0  0  0  0  0
    1.8026    0.5018    2.6974 O   0  0  0  0  0
    3.4406   -0.0315    4.3069 C   0  0  0  0  0
    4.7034    0.3635    4.7722 C   0  0  0  0  0
    5.0948    0.0537    6.0775 C   0  0  0  0  0
    4.2243   -0.6398    6.9178 C   0  0  0  0  0
    2.9615   -1.0216    6.4676 C   0  0  0  0  0
    2.5646   -0.7117    5.1631 C   0  0  0  0  0
    4.7108   -1.0159    8.5241 Cl  0  0  0  0  0
    2.2774   -0.5426   -1.7769 H   0  0  0  0  0
    1.4278    0.6036   -2.8297 H   0  0  0  0  0
    0.7434    0.1542   -1.2583 H   0  0  0  0  0
    3.3938    1.6277   -1.6741 H   0  0  0  0  0
    3.2403    3.8243   -2.3860 H   0  0  0  0  0
    2.0325    5.9637   -2.5811 H   0  0  0  0  0
   -0.2061    6.2345   -1.5473 H   0  0  0  0  0
   -1.2325    4.3492   -0.3046 H   0  0  0  0  0
   -0.0454    2.2002   -0.0999 H   0  0  0  0  0
    1.9847    1.2354    0.9242 H   0  0  0  0  0
    4.8821   -0.1156    2.1882 H   0  0  0  0  0
    5.3826    0.9364    4.1461 H   0  0  0  0  0
    6.0724    0.3653    6.4359 H   0  0  0  0  0
    2.2797   -1.5548    7.1267 H   0  0  0  0  0
    1.5752   -1.0059    4.8171 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
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
AC1O5EOP

>  <PubChem CID>
6456925

>  <Formula>
C16H15ClN2O2

>  <Molecular Weight>
302.758000

>  <IUPAC Name>
4-chloro-N-(1-phenylethylcarbamoyl)benzamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C16H15ClN2O2/c1-11(12-5-3-2-4-6-12)18-16(21)19-15(20)13-7-9-14(17)10-8-13/h2-11H,1H3,(H2,18,19,20,21)

>  <InChI Key>
ABFYMNNRGMZHAM-UHFFFAOYSA-N

