
 N-butyl-3,4-dichloro-N-ethylbenzamide

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.9795    0.0540    3.8035 C   0  0  0  0  0
    3.2044    0.2441    2.3125 C   0  0  0  0  0
    3.9861    1.5254    2.0160 C   0  0  0  0  0
    4.1656    1.7142    0.5090 C   0  0  0  0  0
    4.9355    2.9128    0.1531 N   0  0  0  0  0
    4.1947    4.1632   -0.0321 C   0  0  0  0  0
    4.1269    5.0224    1.2222 C   0  0  0  0  0
    6.3298    3.0060    0.1541 C   0  0  0  0  0
    6.9392    4.0651    0.0161 O   0  0  0  0  0
    7.1590    1.7982    0.3406 C   0  0  0  0  0
    8.0735    1.7817    1.3989 C   0  0  0  0  0
    8.9357    0.6942    1.5561 C   0  0  0  0  0
    8.8894   -0.3711    0.6476 C   0  0  0  0  0
    7.9901   -0.3368   -0.4247 C   0  0  0  0  0
    7.1336    0.7549   -0.5887 C   0  0  0  0  0
    9.9242   -1.7484    0.7815 Cl  0  0  0  0  0
   10.0412    0.7311    2.8827 Cl  0  0  0  0  0
    2.4192   -0.8683    3.9865 H   0  0  0  0  0
    2.4067    0.8869    4.2233 H   0  0  0  0  0
    3.9315   -0.0148    4.3388 H   0  0  0  0  0
    2.2325    0.2770    1.8064 H   0  0  0  0  0
    3.7464   -0.6225    1.9166 H   0  0  0  0  0
    4.9634    1.4883    2.5109 H   0  0  0  0  0
    3.4484    2.3791    2.4396 H   0  0  0  0  0
    3.1894    1.7727    0.0131 H   0  0  0  0  0
    4.6567    0.8301    0.0971 H   0  0  0  0  0
    3.1860    3.9368   -0.3933 H   0  0  0  0  0
    4.6898    4.7385   -0.8234 H   0  0  0  0  0
    3.5506    4.5347    2.0123 H   0  0  0  0  0
    3.6402    5.9770    0.9973 H   0  0  0  0  0
    5.1238    5.2370    1.6204 H   0  0  0  0  0
    8.1207    2.6269    2.0825 H   0  0  0  0  0
    7.9639   -1.1516   -1.1451 H   0  0  0  0  0
    6.4674    0.7968   -1.4470 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
M  END

>  <Chemical Name>
N-butyl-3,4-dichloro-N-ethylbenzamide

>  <PubChem CID>
2163962

>  <Formula>
C13H17Cl2NO

>  <Molecular Weight>
274.185000

>  <IUPAC Name>
N-butyl-3,4-dichloro-N-ethylbenzamide

>  <XlogP>
5.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C13H17Cl2NO/c1-3-5-8-16(4-2)13(17)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8H2,1-2H3

>  <InChI Key>
ATOZZFITRRPGJO-UHFFFAOYSA-N

