
 2-(3-chloro-4-methylanilino)-1-phenylethanone

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.8742   -4.9837    0.4271 C   0  0  0  0  0
    8.3467   -3.5777    0.4107 C   0  0  0  0  0
    8.8643   -2.5965   -0.4442 C   0  0  0  0  0
    8.3538   -1.2904   -0.4354 C   0  0  0  0  0
    7.3397   -0.9165    0.4512 C   0  0  0  0  0
    6.7919   -1.9157    1.2660 C   0  0  0  0  0
    7.2912   -3.2231    1.2580 C   0  0  0  0  0
    6.7530    0.3556    0.4770 N   0  0  0  0  0
    7.4829    1.4868   -0.1005 C   0  0  0  0  0
    6.8183    2.7925    0.3170 C   0  0  0  0  0
    6.9623    3.2616    1.4467 O   0  0  0  0  0
    5.9618    3.5083   -0.6630 C   0  0  0  0  0
    5.1952    2.8189   -1.6084 C   0  0  0  0  0
    4.3930    3.5316   -2.5028 C   0  0  0  0  0
    4.3546    4.9258   -2.4531 C   0  0  0  0  0
    5.1095    5.6136   -1.5041 C   0  0  0  0  0
    5.9073    4.9065   -0.6041 C   0  0  0  0  0
   10.1480   -2.9509   -1.5476 Cl  0  0  0  0  0
    9.9438   -4.9887    0.6605 H   0  0  0  0  0
    8.7074   -5.4652   -0.5415 H   0  0  0  0  0
    8.3733   -5.5909    1.1888 H   0  0  0  0  0
    8.7747   -0.5709   -1.1302 H   0  0  0  0  0
    5.9597   -1.6815    1.9268 H   0  0  0  0  0
    6.8420   -3.9607    1.9200 H   0  0  0  0  0
    6.4104    0.5772    1.4147 H   0  0  0  0  0
    7.5268    1.4140   -1.1923 H   0  0  0  0  0
    8.5148    1.5252    0.2702 H   0  0  0  0  0
    5.1871    1.7320   -1.6455 H   0  0  0  0  0
    3.7877    2.9991   -3.2332 H   0  0  0  0  0
    3.7262    5.4772   -3.1490 H   0  0  0  0  0
    5.0719    6.6990   -1.4593 H   0  0  0  0  0
    6.4863    5.4473    0.1423 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  2  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
2-(3-chloro-4-methylanilino)-1-phenylethanone

>  <PubChem CID>
788410

>  <Formula>
C15H14ClNO

>  <Molecular Weight>
259.733000

>  <IUPAC Name>
2-(3-chloro-4-methylanilino)-1-phenylethanone

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C=C(C=C1)NCC(=O)C2=CC=CC=C2)Cl

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)NCC(=O)C2=CC=CC=C2)Cl

>  <InChI Std. ID>
InChI=1S/C15H14ClNO/c1-11-7-8-13(9-14(11)16)17-10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3

>  <InChI Key>
BYLKIFQQXNFTAK-UHFFFAOYSA-N

