
 MLS000109722

 38 39  0  0  0  0  0  0  0  0999 V2000
    3.4209   -0.3770   -1.3263 C   0  0  0  0  0
    3.8282   -0.9662   -0.0059 C   0  0  0  0  0
    3.2142   -2.0161    0.5741 C   0  0  0  0  0
    2.0495   -2.7561    0.0742 C   0  0  0  0  0
    2.1855   -3.8314   -0.9794 C   0  0  0  0  0
    1.7901   -4.2084    0.4502 C   0  0  0  0  0
    2.7446   -4.9655    1.3500 C   0  0  0  0  0
    0.3571   -4.6442    0.6506 C   0  0  0  0  0
    3.4782   -4.2745   -1.5901 C   0  0  0  0  0
    4.3543   -4.8017   -0.9193 O   0  0  0  0  0
    3.5377   -4.0695   -2.9471 N   0  0  0  0  0
    4.4866   -4.5921   -3.8297 C   0  0  0  0  0
    4.4292   -4.0797   -5.0789 N   0  0  0  0  0
    5.3248   -4.5507   -5.9847 C   0  0  0  0  0
    6.2591   -5.5348   -5.7086 C   0  0  0  0  0
    6.2818   -6.0764   -4.4340 C   0  0  0  0  0
    5.3845   -5.5968   -3.4802 C   0  0  0  0  0
    7.4663   -6.1294   -7.0260 Br  0  0  0  0  0
    4.9941   -0.2841    0.6584 C   0  0  0  0  0
    4.2472   -0.4471   -2.0411 H   0  0  0  0  0
    3.1586    0.6791   -1.2025 H   0  0  0  0  0
    2.5563   -0.8798   -1.7687 H   0  0  0  0  0
    3.5864   -2.3312    1.5483 H   0  0  0  0  0
    1.1665   -2.1228    0.0083 H   0  0  0  0  0
    1.3706   -3.8476   -1.7023 H   0  0  0  0  0
    2.8117   -6.0108    1.0286 H   0  0  0  0  0
    2.3801   -4.9543    2.3826 H   0  0  0  0  0
    3.7577   -4.5561    1.3723 H   0  0  0  0  0
   -0.3394   -4.0766    0.0248 H   0  0  0  0  0
    0.0590   -4.5058    1.6949 H   0  0  0  0  0
    0.2487   -5.7046    0.3984 H   0  0  0  0  0
    2.8741   -3.4533   -3.3937 H   0  0  0  0  0
    5.2614   -4.0933   -6.9683 H   0  0  0  0  0
    6.9811   -6.8624   -4.1661 H   0  0  0  0  0
    5.3978   -6.0400   -2.4912 H   0  0  0  0  0
    4.7632    0.7712    0.8382 H   0  0  0  0  0
    5.8821   -0.3428    0.0211 H   0  0  0  0  0
    5.2459   -0.7359    1.6238 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 19  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 25  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 19 38  1  0  0  0
M  END

>  <Chemical Name>
MLS000109722

>  <PubChem CID>
2883391

>  <Formula>
C15H19BrN2O

>  <Molecular Weight>
323.234000

>  <IUPAC Name>
N-(5-bromopyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=CC1C(C1(C)C)C(=O)NC2=NC=C(C=C2)Br)C

>  <Isomeric SMILES>
CC(=CC1C(C1(C)C)C(=O)NC2=NC=C(C=C2)Br)C

>  <InChI Std. ID>
InChI=1S/C15H19BrN2O/c1-9(2)7-11-13(15(11,3)4)14(19)18-12-6-5-10(16)8-17-12/h5-8,11,13H,1-4H3,(H,17,18,19)

>  <InChI Key>
AXIVSTHBJFCRNV-UHFFFAOYSA-N

