
 NSC673655

 29 30  0  0  0  0  0  0  0  0999 V2000
    4.5052    5.8484    2.6392 C   0  0  0  0  0
    4.1354    4.7052    1.7326 C   0  0  0  0  0
    3.1934    4.7709    0.9510 O   0  0  0  0  0
    4.9215    3.5876    1.8899 N   0  0  0  0  0
    4.7603    2.4176    1.0431 C   0  0  0  0  0
    5.4715    2.5531   -0.3072 C   0  0  0  0  0
    6.9650    2.6269   -0.1756 C   0  0  0  0  0
    7.7244    3.7809   -0.1448 C   0  0  0  0  0
    9.0405    3.4299   -0.0215 N   0  0  0  0  0
    9.1643    2.0611    0.0320 C   0  0  0  0  0
    7.8780    1.5279   -0.0681 C   0  0  0  0  0
    7.7279    0.1256   -0.0492 C   0  0  0  0  0
    8.8658   -0.6788    0.0686 C   0  0  0  0  0
   10.1373   -0.1207    0.1696 C   0  0  0  0  0
   10.3109    1.2663    0.1530 C   0  0  0  0  0
    8.6891   -2.3927    0.0883 Cl  0  0  0  0  0
    5.5364    5.7634    2.9929 H   0  0  0  0  0
    3.8303    5.8569    3.4990 H   0  0  0  0  0
    4.4112    6.7884    2.0882 H   0  0  0  0  0
    5.7830    3.6614    2.4155 H   0  0  0  0  0
    3.6899    2.2557    0.8749 H   0  0  0  0  0
    5.1468    1.5615    1.6064 H   0  0  0  0  0
    5.1084    3.4425   -0.8368 H   0  0  0  0  0
    5.2116    1.6906   -0.9330 H   0  0  0  0  0
    7.4348    4.8217   -0.2093 H   0  0  0  0  0
    9.8156    4.0776    0.0158 H   0  0  0  0  0
    6.7433   -0.3233   -0.1312 H   0  0  0  0  0
   11.0095   -0.7640    0.2593 H   0  0  0  0  0
   11.3015    1.7036    0.2272 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 11  1  0  0  0
  7  8  2  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
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
M  END

>  <Chemical Name>
NSC673655

>  <PubChem CID>
384240

>  <Formula>
C12H13ClN2O

>  <Molecular Weight>
236.699000

>  <IUPAC Name>
N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide

>  <XlogP>
1.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl

>  <Isomeric SMILES>
CC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl

>  <InChI Std. ID>
InChI=1S/C12H13ClN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)

>  <InChI Key>
WJIFPSFOSMKSAB-UHFFFAOYSA-N

