
 AC1LJP8I

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.8888    1.6554    0.8631 C   0  0  0  0  0
    0.5653    0.9832    1.2776 C   0  0  0  0  0
   -0.0111    0.1871    0.1814 N   0  0  0  0  0
    0.9300   -0.7463   -0.4548 C   0  0  0  0  0
    2.2803   -0.0957   -0.8122 C   0  0  0  0  0
    2.8314    0.6364    0.3559 N   0  0  0  0  0
    4.1551    1.0662    0.1167 C   0  0  0  0  0
    5.1828    0.1135    0.2314 C   0  0  0  0  0
    6.5220    0.4485    0.0042 C   0  0  0  0  0
    6.8654    1.7501   -0.3514 C   0  0  0  0  0
    5.8691    2.7134   -0.4737 C   0  0  0  0  0
    4.5356    2.3736   -0.2385 C   0  0  0  0  0
    3.6183    3.3411   -0.3940 F   0  0  0  0  0
   -1.3742   -0.0278   -0.0095 C   0  0  0  0  0
   -1.7864   -0.8746   -0.8046 O   0  0  0  0  0
   -2.3423    0.8668    0.7829 C   0  0  0  0  0
   -3.7194    0.6870    0.4790 O   0  0  0  0  0
   -4.2598    1.5053   -0.4792 C   0  0  0  0  0
   -3.5317    2.0412   -1.5476 C   0  0  0  0  0
   -4.1568    2.8620   -2.4913 C   0  0  0  0  0
   -5.5169    3.1427   -2.3868 C   0  0  0  0  0
   -6.2583    2.5955   -1.3405 C   0  0  0  0  0
   -5.6344    1.7759   -0.3950 C   0  0  0  0  0
   -6.6027    1.1340    0.8859 Cl  0  0  0  0  0
    1.6611    2.3957    0.0872 H   0  0  0  0  0
    2.3122    2.1705    1.7332 H   0  0  0  0  0
   -0.1325    1.7500    1.6188 H   0  0  0  0  0
    0.7329    0.2945    2.1143 H   0  0  0  0  0
    1.0887   -1.5644    0.2592 H   0  0  0  0  0
    0.4912   -1.1813   -1.3589 H   0  0  0  0  0
    2.9639   -0.8856   -1.1461 H   0  0  0  0  0
    2.1373    0.6015   -1.6485 H   0  0  0  0  0
    4.9363   -0.9059    0.5214 H   0  0  0  0  0
    7.2943   -0.3096    0.1094 H   0  0  0  0  0
    7.9047    2.0124   -0.5315 H   0  0  0  0  0
    6.1160    3.7326   -0.7557 H   0  0  0  0  0
   -2.0573    1.9213    0.6859 H   0  0  0  0  0
   -2.2280    0.5946    1.8389 H   0  0  0  0  0
   -2.4794    1.8162   -1.6895 H   0  0  0  0  0
   -3.5807    3.2710   -3.3179 H   0  0  0  0  0
   -6.0020    3.7769   -3.1248 H   0  0  0  0  0
   -7.3219    2.8068   -1.2671 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  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 14  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
M  END

>  <Chemical Name>
AC1LJP8I

>  <PubChem CID>
977705

>  <Formula>
C18H18ClFN2O2

>  <Molecular Weight>
348.802000

>  <IUPAC Name>
2-(2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1C2=CC=CC=C2F)C(=O)COC3=CC=CC=C3Cl

>  <Isomeric SMILES>
C1CN(CCN1C2=CC=CC=C2F)C(=O)COC3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C18H18ClFN2O2/c19-14-5-1-4-8-17(14)24-13-18(23)22-11-9-21(10-12-22)16-7-3-2-6-15(16)20/h1-8H,9-13H2

>  <InChI Key>
AATVVKWVWHBLIV-UHFFFAOYSA-N

