
 CHEMBL127337

 33 34  0  0  0  0  0  0  0  0999 V2000
    8.3595    2.1868   -4.4509 C   0  0  0  0  0
    7.4967    2.4609   -3.2497 C   0  0  0  0  0
    6.5586    1.7362   -2.9348 O   0  0  0  0  0
    7.8806    3.5677   -2.5300 N   0  0  0  0  0
    7.1945    3.9656   -1.3135 C   0  0  0  0  0
    7.5616    3.1146   -0.0933 C   0  0  0  0  0
    9.0060    3.2274    0.3030 C   0  0  0  0  0
    9.6114    4.2295    1.0336 C   0  0  0  0  0
   10.9326    3.9351    1.1920 N   0  0  0  0  0
   11.2258    2.7429    0.5741 C   0  0  0  0  0
   12.4369    2.0506    0.4794 C   0  0  0  0  0
   12.4339    0.8342   -0.2163 C   0  0  0  0  0
   11.2641    0.3176   -0.7905 C   0  0  0  0  0
   10.0685    1.0448   -0.6908 C   0  0  0  0  0
   10.0403    2.2739    0.0082 C   0  0  0  0  0
   11.3689   -0.8760   -1.4588 O   0  0  0  0  0
   10.1710   -1.6318   -1.5994 C   0  0  0  0  0
   14.0875   -0.1040   -0.3283 Br  0  0  0  0  0
    8.8031    5.7589    1.7324 Br  0  0  0  0  0
    8.7831    3.1130   -4.8486 H   0  0  0  0  0
    7.7500    1.7282   -5.2343 H   0  0  0  0  0
    9.1671    1.5076   -4.1675 H   0  0  0  0  0
    8.7830    3.9852   -2.7204 H   0  0  0  0  0
    6.1157    3.8902   -1.4919 H   0  0  0  0  0
    7.4328    5.0208   -1.1466 H   0  0  0  0  0
    7.3146    2.0636   -0.2845 H   0  0  0  0  0
    6.9334    3.4190    0.7527 H   0  0  0  0  0
   11.5937    4.5064    1.6982 H   0  0  0  0  0
   13.3432    2.4389    0.9332 H   0  0  0  0  0
    9.1503    0.6897   -1.1449 H   0  0  0  0  0
   10.4477   -2.6342   -1.9416 H   0  0  0  0  0
    9.5174   -1.1899   -2.3588 H   0  0  0  0  0
    9.6488   -1.7396   -0.6415 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 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 18  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
M  END

>  <Chemical Name>
CHEMBL127337

>  <PubChem CID>
9843361

>  <Formula>
C13H14Br2N2O2

>  <Molecular Weight>
390.075000

>  <IUPAC Name>
N-[2-(2,6-dibromo-5-methoxy-1H-indol-3-yl)ethyl]acetamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCCC1=C(NC2=CC(=C(C=C21)OC)Br)Br

>  <Isomeric SMILES>
CC(=O)NCCC1=C(NC2=CC(=C(C=C21)OC)Br)Br

>  <InChI Std. ID>
InChI=1S/C13H14Br2N2O2/c1-7(18)16-4-3-8-9-5-12(19-2)10(14)6-11(9)17-13(8)15/h5-6,17H,3-4H2,1-2H3,(H,16,18)

>  <InChI Key>
AEPQBPVSJSMGAD-UHFFFAOYSA-N

