
 2-bromo-N-[3-(pentanoylamino)phenyl]benzamide

 42 43  0  0  0  0  0  0  0  0999 V2000
    6.1551   14.0036   -3.3969 C   0  0  0  0  0
    7.3763   13.1486   -3.6967 C   0  0  0  0  0
    7.1087   11.6727   -3.4072 C   0  0  0  0  0
    8.3422   10.8171   -3.6892 C   0  0  0  0  0
    8.0768    9.3452   -3.4216 C   0  0  0  0  0
    8.0113    8.5366   -4.3392 O   0  0  0  0  0
    7.9430    9.0783   -2.0725 N   0  0  0  0  0
    7.7103    7.8370   -1.4492 C   0  0  0  0  0
    7.4998    6.6380   -2.1236 C   0  0  0  0  0
    7.2836    5.4603   -1.4015 C   0  0  0  0  0
    7.2889    5.4758   -0.0025 C   0  0  0  0  0
    7.5184    6.6681    0.6870 C   0  0  0  0  0
    7.7042    7.8413   -0.0485 C   0  0  0  0  0
    7.5447    6.6303    2.0996 N   0  0  0  0  0
    7.8916    7.6712    2.9423 C   0  0  0  0  0
    8.3157    8.7753    2.6019 O   0  0  0  0  0
    7.8141    7.4077    4.4019 C   0  0  0  0  0
    8.8760    7.9170    5.1719 C   0  0  0  0  0
    8.8793    7.7936    6.5598 C   0  0  0  0  0
    7.8173    7.1608    7.1968 C   0  0  0  0  0
    6.7553    6.6529    6.4460 C   0  0  0  0  0
    6.7445    6.7756    5.0496 C   0  0  0  0  0
    5.2038    6.1191    4.1539 Br  0  0  0  0  0
    6.3651   15.0551   -3.6157 H   0  0  0  0  0
    5.8721   13.9265   -2.3421 H   0  0  0  0  0
    5.2999   13.6934   -4.0056 H   0  0  0  0  0
    8.2185   13.5008   -3.0899 H   0  0  0  0  0
    7.6571   13.2771   -4.7484 H   0  0  0  0  0
    6.2711   11.3182   -4.0209 H   0  0  0  0  0
    6.7981   11.5579   -2.3617 H   0  0  0  0  0
    9.1881   11.1395   -3.0702 H   0  0  0  0  0
    8.6529   10.9251   -4.7351 H   0  0  0  0  0
    8.0693    9.8622   -1.4427 H   0  0  0  0  0
    7.4944    6.5879   -3.2085 H   0  0  0  0  0
    7.1167    4.5282   -1.9355 H   0  0  0  0  0
    7.1287    4.5410    0.5291 H   0  0  0  0  0
    7.8459    8.7876    0.4602 H   0  0  0  0  0
    7.3064    5.7440    2.5293 H   0  0  0  0  0
    9.7040    8.4323    4.6836 H   0  0  0  0  0
    9.7023    8.2038    7.1413 H   0  0  0  0  0
    7.8067    7.0761    8.2814 H   0  0  0  0  0
    5.9251    6.1790    6.9665 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
M  END

>  <Chemical Name>
2-bromo-N-[3-(pentanoylamino)phenyl]benzamide

>  <PubChem CID>
2186104

>  <Formula>
C18H19BrN2O2

>  <Molecular Weight>
375.266000

>  <IUPAC Name>
2-bromo-N-[3-(pentanoylamino)phenyl]benzamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Br

>  <Isomeric SMILES>
CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Br

>  <InChI Std. ID>
InChI=1S/C18H19BrN2O2/c1-2-3-11-17(22)20-13-7-6-8-14(12-13)21-18(23)15-9-4-5-10-16(15)19/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23)

>  <InChI Key>
AKMWGEBAOLJYCR-UHFFFAOYSA-N

