
 N-(2-aminoethyl)-4-chlorobenzamide

 24 24  0  0  0  0  0  0  0  0999 V2000
   -0.5765    1.3912    0.2648 C   0  0  0  0  0
    0.8151    1.4930    0.3783 C   0  0  0  0  0
    1.6103    0.3532    0.2604 C   0  0  0  0  0
    1.0276   -0.8899    0.0318 C   0  0  0  0  0
   -0.3618   -0.9944   -0.0783 C   0  0  0  0  0
   -1.1760    0.1444    0.0420 C   0  0  0  0  0
   -2.6498   -0.0297   -0.1201 C   0  0  0  0  0
   -3.0951   -1.0756   -0.5833 O   0  0  0  0  0
   -3.4592    1.0114    0.2736 N   0  0  0  0  0
   -4.9027    0.8924    0.2355 C   0  0  0  0  0
   -5.5731    2.2488    0.4900 C   0  0  0  0  0
   -5.0633    2.8790    1.7172 N   0  0  0  0  0
    3.3199    0.4875    0.3859 Cl  0  0  0  0  0
   -1.1657    2.3014    0.3274 H   0  0  0  0  0
    1.2722    2.4649    0.5465 H   0  0  0  0  0
    1.6434   -1.7802   -0.0697 H   0  0  0  0  0
   -0.8105   -1.9684   -0.2659 H   0  0  0  0  0
   -3.1075    1.7447    0.8780 H   0  0  0  0  0
   -5.1957    0.1674    1.0044 H   0  0  0  0  0
   -5.2051    0.4929   -0.7386 H   0  0  0  0  0
   -6.6586    2.1216    0.5595 H   0  0  0  0  0
   -5.3666    2.9219   -0.3493 H   0  0  0  0  0
   -5.2881    2.2810    2.5134 H   0  0  0  0  0
   -5.5728    3.7495    1.8727 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 19  1  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
M  END

>  <Chemical Name>
N-(2-aminoethyl)-4-chlorobenzamide

>  <PubChem CID>
4289

>  <Formula>
C9H11ClN2O

>  <Molecular Weight>
198.650000

>  <IUPAC Name>
N-(2-aminoethyl)-4-chlorobenzamide

>  <XlogP>
0.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=CC=C1C(=O)NCCN)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1C(=O)NCCN)Cl

>  <InChI Std. ID>
InChI=1S/C9H11ClN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)

>  <InChI Key>
AIHKMGLJGLKLSI-UHFFFAOYSA-N

