
 CHEMBL233309

 36 37  0  0  0  0  0  0  0  0999 V2000
    5.2827    5.8565    2.1963 C   0  0  0  0  0
    4.7715    4.7601    1.2989 C   0  0  0  0  0
    3.8668    4.9442    0.4923 O   0  0  0  0  0
    5.3809    3.5433    1.4940 N   0  0  0  0  0
    5.0643    2.3894    0.6709 C   0  0  0  0  0
    5.8450    2.3551   -0.6479 C   0  0  0  0  0
    7.3233    2.1958   -0.4441 C   0  0  0  0  0
    8.0040    1.0094   -0.2784 C   0  0  0  0  0
    9.3381    1.2869   -0.1120 N   0  0  0  0  0
    9.5574    2.6529   -0.1565 C   0  0  0  0  0
   10.7068    3.4647   -0.0405 C   0  0  0  0  0
   10.5710    4.8596   -0.1250 C   0  0  0  0  0
    9.3299    5.4480   -0.3274 C   0  0  0  0  0
    8.2003    4.6425   -0.4755 C   0  0  0  0  0
    8.2983    3.2382   -0.3750 C   0  0  0  0  0
    9.0912    6.7921   -0.4281 O   0  0  0  0  0
   10.0590    7.6487    0.1688 C   0  0  0  0  0
   12.4565    2.7837    0.2276 Br  0  0  0  0  0
   10.3281    0.2497    0.0831 C   0  0  0  0  0
    6.2618    5.6110    2.6143 H   0  0  0  0  0
    4.5729    6.0081    3.0128 H   0  0  0  0  0
    5.3803    6.7779    1.6160 H   0  0  0  0  0
    6.2425    3.5093    2.0253 H   0  0  0  0  0
    3.9899    2.3976    0.4555 H   0  0  0  0  0
    5.2803    1.5009    1.2736 H   0  0  0  0  0
    5.6453    3.2633   -1.2296 H   0  0  0  0  0
    5.4798    1.5140   -1.2515 H   0  0  0  0  0
    7.6412   -0.0107   -0.2687 H   0  0  0  0  0
   11.4634    5.4716   -0.0477 H   0  0  0  0  0
    7.2338    5.1076   -0.6588 H   0  0  0  0  0
    9.6595    8.6663    0.1464 H   0  0  0  0  0
   10.9930    7.6463   -0.4004 H   0  0  0  0  0
   10.2322    7.3797    1.2153 H   0  0  0  0  0
   11.0411    0.2865   -0.7437 H   0  0  0  0  0
    9.8384   -0.7287    0.0859 H   0  0  0  0  0
   10.8117    0.4040    1.0503 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 19  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 18  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 16 17  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 19 34  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233309

>  <PubChem CID>
44429449

>  <Formula>
C14H17BrN2O2

>  <Molecular Weight>
325.206000

>  <IUPAC Name>
N-[2-(7-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCCC1=CN(C2=C(C=C(C=C12)OC)Br)C

>  <Isomeric SMILES>
CC(=O)NCCC1=CN(C2=C(C=C(C=C12)OC)Br)C

>  <InChI Std. ID>
InChI=1S/C14H17BrN2O2/c1-9(18)16-5-4-10-8-17(2)14-12(10)6-11(19-3)7-13(14)15/h6-8H,4-5H2,1-3H3,(H,16,18)

>  <InChI Key>
HVJNFQNXQLFJHH-UHFFFAOYSA-N

