
 4-chloro-N-(1-pyridin-2-ylethylideneamino)benzamide

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.5859    0.3942   -0.2906 C   0  0  0  0  0
    2.0918    0.3534   -0.1310 C   0  0  0  0  0
    2.7590   -0.7086    0.2289 N   0  0  0  0  0
    2.0799   -1.8544    0.4946 N   0  0  0  0  0
    2.6865   -3.0293    0.9026 C   0  0  0  0  0
    2.0415   -4.0763    0.9295 O   0  0  0  0  0
    4.1208   -3.0405    1.3041 C   0  0  0  0  0
    4.8615   -4.2065    1.0607 C   0  0  0  0  0
    6.2052   -4.2832    1.4395 C   0  0  0  0  0
    6.8079   -3.1977    2.0720 C   0  0  0  0  0
    6.0760   -2.0432    2.3426 C   0  0  0  0  0
    4.7302   -1.9691    1.9698 C   0  0  0  0  0
    8.4631   -3.2866    2.5324 Cl  0  0  0  0  0
    2.8469    1.6194   -0.3803 C   0  0  0  0  0
    4.2008    1.5714   -0.6967 C   0  0  0  0  0
    4.8789    2.7725   -0.8822 C   0  0  0  0  0
    4.1911    3.9722   -0.7333 C   0  0  0  0  0
    2.8440    3.9230   -0.4112 C   0  0  0  0  0
    2.1531    2.7747   -0.2366 N   0  0  0  0  0
    0.2269    1.3540   -0.6688 H   0  0  0  0  0
    0.1121    0.2007    0.6764 H   0  0  0  0  0
    0.2757   -0.3724   -1.0078 H   0  0  0  0  0
    1.0985   -1.9411    0.2545 H   0  0  0  0  0
    4.3908   -5.0599    0.5751 H   0  0  0  0  0
    6.7694   -5.1909    1.2420 H   0  0  0  0  0
    6.5405   -1.2009    2.8493 H   0  0  0  0  0
    4.1652   -1.0743    2.2161 H   0  0  0  0  0
    4.7196    0.6237   -0.7988 H   0  0  0  0  0
    5.9358    2.7717   -1.1355 H   0  0  0  0  0
    4.6945    4.9247   -0.8623 H   0  0  0  0  0
    2.2689    4.8353   -0.2781 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2 14  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 27  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 17  2  0  0  0
 16 29  1  0  0  0
 17 18  1  0  0  0
 17 30  1  0  0  0
 18 19  2  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
4-chloro-N-(1-pyridin-2-ylethylideneamino)benzamide

>  <PubChem CID>
571783

>  <Formula>
C14H12ClN3O

>  <Molecular Weight>
273.720000

>  <IUPAC Name>
4-chloro-N-(1-pyridin-2-ylethylideneamino)benzamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=N2

>  <Isomeric SMILES>
CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=N2

>  <InChI Std. ID>
InChI=1S/C14H12ClN3O/c1-10(13-4-2-3-9-16-13)17-18-14(19)11-5-7-12(15)8-6-11/h2-9H,1H3,(H,18,19)

>  <InChI Key>
BRPAABKVWTVIPX-UHFFFAOYSA-N

