
 BRN 2263667

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.3156   -1.6491    0.0964 C   0  0  0  0  0
    2.9052   -1.1299   -0.1481 C   0  0  0  0  0
    2.4571   -1.3152   -1.6048 C   0  0  0  0  0
    2.3877   -2.7168   -1.9736 N   0  0  0  0  0
    2.4499   -3.1192   -3.2825 C   0  0  0  0  0
    2.6064   -2.3571   -4.2279 O   0  0  0  0  0
    2.3061   -4.5866   -3.4444 C   0  0  0  0  0
    2.3683   -5.1266   -4.6718 C   0  0  0  0  0
    2.2559   -6.5644   -4.9496 C   0  0  0  0  0
    2.9919   -7.1049   -6.0136 C   0  0  0  0  0
    2.8907   -8.4620   -6.3345 C   0  0  0  0  0
    2.0419   -9.2846   -5.5989 C   0  0  0  0  0
    1.2919   -8.7612   -4.5487 C   0  0  0  0  0
    1.3944   -7.4035   -4.2290 C   0  0  0  0  0
    1.9120  -10.9536   -5.9940 Cl  0  0  0  0  0
    2.0135   -1.8329    0.7243 O   0  0  0  0  0
    4.6186   -1.4446    1.1287 H   0  0  0  0  0
    5.0361   -1.1767   -0.5771 H   0  0  0  0  0
    4.3702   -2.7353   -0.0314 H   0  0  0  0  0
    2.8649   -0.0665    0.1138 H   0  0  0  0  0
    3.1236   -0.7821   -2.2905 H   0  0  0  0  0
    1.4434   -0.9175   -1.7344 H   0  0  0  0  0
    2.1625   -3.3736   -1.2364 H   0  0  0  0  0
    2.1747   -5.1877   -2.5545 H   0  0  0  0  0
    2.5351   -4.4873   -5.5380 H   0  0  0  0  0
    3.6577   -6.4739   -6.5996 H   0  0  0  0  0
    3.4724   -8.8655   -7.1587 H   0  0  0  0  0
    0.6202   -9.3992   -3.9804 H   0  0  0  0  0
    0.7816   -7.0117   -3.4211 H   0  0  0  0  0
    1.1490   -1.3878    0.6710 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 16  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 16 30  1  0  0  0
M  END

>  <Chemical Name>
BRN 2263667

>  <PubChem CID>
6434091

>  <Formula>
C12H14ClNO2

>  <Molecular Weight>
239.699000

>  <IUPAC Name>
(E)-3-(4-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CNC(=O)C=CC1=CC=C(C=C1)Cl)O

>  <Isomeric SMILES>
CC(CNC(=O)/C=C/C1=CC=C(C=C1)Cl)O

>  <InChI Std. ID>
InChI=1S/C12H14ClNO2/c1-9(15)8-14-12(16)7-4-10-2-5-11(13)6-3-10/h2-7,9,15H,8H2,1H3,(H,14,16)/b7-4+

>  <InChI Key>
SVLVGTSFQFZIBO-QPJJXVBHSA-N

