
 CHEMBL233310

 39 40  0  0  0  0  0  0  0  0999 V2000
    1.3423    5.4986    1.7757 C   0  0  0  0  0
    2.7443    5.1335    2.2286 C   0  0  0  0  0
    3.4219    4.1652    1.2779 C   0  0  0  0  0
    2.8448    3.5887    0.3629 O   0  0  0  0  0
    4.7590    3.9840    1.5619 N   0  0  0  0  0
    5.6136    3.1854    0.7013 C   0  0  0  0  0
    5.9754    3.8748   -0.6199 C   0  0  0  0  0
    6.7926    5.1198   -0.4336 C   0  0  0  0  0
    8.1652    5.1911   -0.3481 C   0  0  0  0  0
    8.5291    6.5060   -0.1999 N   0  0  0  0  0
    7.4087    7.3159   -0.1487 C   0  0  0  0  0
    7.2102    8.7042    0.0163 C   0  0  0  0  0
    5.9020    9.2166    0.0053 C   0  0  0  0  0
    4.8059    8.3831   -0.1761 C   0  0  0  0  0
    5.0080    7.0124   -0.3485 C   0  0  0  0  0
    6.3075    6.4609   -0.3213 C   0  0  0  0  0
    3.4936    8.7686   -0.1995 O   0  0  0  0  0
    3.2217   10.1544   -0.0342 C   0  0  0  0  0
    8.6188    9.9474    0.2720 Br  0  0  0  0  0
    9.9123    6.9261   -0.1381 C   0  0  0  0  0
    0.8793    6.1897    2.4874 H   0  0  0  0  0
    0.7060    4.6100    1.6994 H   0  0  0  0  0
    1.3619    5.9821    0.7926 H   0  0  0  0  0
    2.7020    4.6663    3.2179 H   0  0  0  0  0
    3.3486    6.0436    2.3028 H   0  0  0  0  0
    5.2113    4.6435    2.1832 H   0  0  0  0  0
    5.0956    2.2434    0.4869 H   0  0  0  0  0
    6.5156    2.9504    1.2776 H   0  0  0  0  0
    5.0678    4.1123   -1.1874 H   0  0  0  0  0
    6.5464    3.1686   -1.2366 H   0  0  0  0  0
    8.9114    4.4081   -0.3981 H   0  0  0  0  0
    5.7678   10.2853    0.1385 H   0  0  0  0  0
    4.1483    6.3648   -0.5073 H   0  0  0  0  0
    2.1369   10.2902   -0.0816 H   0  0  0  0  0
    3.6671   10.7436   -0.8427 H   0  0  0  0  0
    3.5588   10.5079    0.9459 H   0  0  0  0  0
   10.1026    7.6281   -0.9539 H   0  0  0  0  0
   10.5658    6.0571   -0.2634 H   0  0  0  0  0
   10.0999    7.3734    0.8411 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 20  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 17 18  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233310

>  <PubChem CID>
44429450

>  <Formula>
C15H19BrN2O2

>  <Molecular Weight>
339.233000

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

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C15H19BrN2O2/c1-4-14(19)17-6-5-10-9-18(2)15-12(10)7-11(20-3)8-13(15)16/h7-9H,4-6H2,1-3H3,(H,17,19)

>  <InChI Key>
ZWJSSEUYUULJSG-UHFFFAOYSA-N

