
 CHEMBL3617554

 46 48  0  0  0  0  0  0  0  0999 V2000
    1.6447    3.3694    0.5055 C   0  0  0  0  0
    2.0650    2.1247   -0.1283 N   0  0  0  0  0
    2.2102    2.2431   -1.5784 C   0  0  0  0  0
    3.4304    3.0578   -2.0114 C   0  0  0  0  0
    4.7395    2.5515   -1.3911 C   0  0  0  0  0
    4.5683    2.3021    0.1173 C   0  0  0  0  0
    3.2743    1.5569    0.4748 C   0  0  0  0  0
    5.2405    1.2890   -2.1000 C   0  0  0  0  0
    4.8134    0.1792   -1.8030 O   0  0  0  0  0
    6.2003    1.4001   -3.2420 C   0  0  0  0  0
    7.1205    0.3701   -3.5215 C   0  0  0  0  0
    7.7989    0.3448   -4.7594 C   0  0  0  0  0
    7.6311    1.4045   -5.6549 C   0  0  0  0  0
    6.8012    2.4757   -5.3346 C   0  0  0  0  0
    6.0818    2.4704   -4.1410 C   0  0  0  0  0
    8.6344   -0.7572   -5.0677 N   0  0  0  0  0
    8.9282   -1.2063   -6.3404 C   0  0  0  0  0
    8.4862   -0.7654   -7.3962 O   0  0  0  0  0
    9.8142   -2.3902   -6.3851 C   0  0  0  0  0
    9.4518   -3.4822   -7.1854 C   0  0  0  0  0
   10.2947   -4.5913   -7.2626 C   0  0  0  0  0
   11.4947   -4.5903   -6.5579 C   0  0  0  0  0
   11.8664   -3.5049   -5.7682 C   0  0  0  0  0
   11.0223   -2.3980   -5.6751 C   0  0  0  0  0
   12.3114   -5.6478   -6.6469 F   0  0  0  0  0
    7.4877   -0.8770   -2.3632 Cl  0  0  0  0  0
    1.4375    3.2029    1.5684 H   0  0  0  0  0
    0.7094    3.7281    0.0609 H   0  0  0  0  0
    2.3873    4.1692    0.4253 H   0  0  0  0  0
    1.3045    2.6850   -2.0137 H   0  0  0  0  0
    2.2729    1.2364   -2.0116 H   0  0  0  0  0
    3.4706    3.0411   -3.1039 H   0  0  0  0  0
    3.2892    4.1083   -1.7270 H   0  0  0  0  0
    5.5189    3.3168   -1.5069 H   0  0  0  0  0
    5.4236    1.7393    0.5095 H   0  0  0  0  0
    4.5724    3.2707    0.6344 H   0  0  0  0  0
    3.3527    0.5077    0.1664 H   0  0  0  0  0
    3.1662    1.5183    1.5663 H   0  0  0  0  0
    8.1586    1.4273   -6.6060 H   0  0  0  0  0
    6.6887    3.2978   -6.0383 H   0  0  0  0  0
    5.4085    3.3009   -3.9612 H   0  0  0  0  0
    8.8083   -1.4008   -4.3007 H   0  0  0  0  0
    8.5193   -3.4654   -7.7447 H   0  0  0  0  0
   10.0300   -5.4481   -7.8744 H   0  0  0  0  0
   12.8171   -3.5257   -5.2433 H   0  0  0  0  0
   11.3245   -1.5383   -5.0823 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3617554

>  <PubChem CID>
122190354

>  <Formula>
C20H20ClFN2O2

>  <Molecular Weight>
374.840000

>  <IUPAC Name>
N-[2-chloro-3-(1-methylpiperidine-4-carbonyl)phenyl]-4-fluorobenzamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=C(C=C3)F)Cl

>  <Isomeric SMILES>
CN1CCC(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=C(C=C3)F)Cl

>  <InChI Std. ID>
InChI=1S/C20H20ClFN2O2/c1-24-11-9-13(10-12-24)19(25)16-3-2-4-17(18(16)21)23-20(26)14-5-7-15(22)8-6-14/h2-8,13H,9-12H2,1H3,(H,23,26)

>  <InChI Key>
KOLJLQASEDCYOG-UHFFFAOYSA-N

