
 SCHEMBL1995918

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.6451    3.4273    1.3504 C   0  0  0  0  0
    1.1542    3.7695   -0.0467 C   0  0  0  0  0
    2.3554    3.5102   -0.9458 C   0  0  0  0  0
    3.4693    3.9509   -0.0927 N   0  0  0  0  0
    3.1604    3.5457    1.2775 C   0  0  0  0  0
    2.5356    2.0442   -1.3872 C   0  0  0  0  0
    1.4155    1.5005   -2.2868 C   0  0  0  0  0
    1.2015    2.2800   -3.5602 C   0  0  0  0  0
    2.2143    2.3974   -4.5177 C   0  0  0  0  0
    2.0121    3.1527   -5.6783 C   0  0  0  0  0
    0.7902    3.7947   -5.9135 C   0  0  0  0  0
   -0.2293    3.6518   -4.9724 C   0  0  0  0  0
   -0.0255    2.9052   -3.8063 C   0  0  0  0  0
    0.6788    4.5661   -7.0929 N   0  0  0  0  0
   -0.4251    5.2855   -7.5170 C   0  0  0  0  0
   -1.5091    5.3569   -6.9480 O   0  0  0  0  0
   -0.2532    6.0732   -8.7762 C   0  0  0  0  0
    0.6443    5.7061   -9.7900 C   0  0  0  0  0
    0.7510    6.4895  -10.9441 C   0  0  0  0  0
   -0.0432    7.6229  -11.0882 C   0  0  0  0  0
   -0.9496    7.9904  -10.1026 C   0  0  0  0  0
   -1.0565    7.2140   -8.9471 C   0  0  0  0  0
    0.0614    8.3640  -12.1984 F   0  0  0  0  0
    1.2138    4.1019    2.0970 H   0  0  0  0  0
    1.3586    2.4028    1.6139 H   0  0  0  0  0
    0.8909    4.8349   -0.0822 H   0  0  0  0  0
    0.2580    3.2051   -0.3158 H   0  0  0  0  0
    2.3130    4.1559   -1.8290 H   0  0  0  0  0
    4.3575    3.5599   -0.3995 H   0  0  0  0  0
    3.6287    2.5833    1.5123 H   0  0  0  0  0
    3.5406    4.2861    1.9879 H   0  0  0  0  0
    2.6078    1.3877   -0.5105 H   0  0  0  0  0
    3.4947    1.9498   -1.9132 H   0  0  0  0  0
    0.4809    1.4435   -1.7164 H   0  0  0  0  0
    1.6523    0.4642   -2.5608 H   0  0  0  0  0
    3.1741    1.9092   -4.3648 H   0  0  0  0  0
    2.8278    3.2298   -6.3919 H   0  0  0  0  0
   -1.1991    4.1211   -5.1036 H   0  0  0  0  0
   -0.8395    2.8286   -3.0883 H   0  0  0  0  0
    1.5283    4.6444   -7.6338 H   0  0  0  0  0
    1.2437    4.8040   -9.7208 H   0  0  0  0  0
    1.4394    6.2177  -11.7386 H   0  0  0  0  0
   -1.5690    8.8716  -10.2374 H   0  0  0  0  0
   -1.7714    7.5000   -8.1766 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  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 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1995918

>  <PubChem CID>
58315653

>  <Formula>
C19H21FN2O

>  <Molecular Weight>
312.388000

>  <IUPAC Name>
4-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(NC1)CCC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
C1CC(NC1)CCC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C19H21FN2O/c20-16-8-6-15(7-9-16)19(23)22-18-11-4-14(5-12-18)3-10-17-2-1-13-21-17/h4-9,11-12,17,21H,1-3,10,13H2,(H,22,23)

>  <InChI Key>
AMOFAALSZXITFF-UHFFFAOYSA-N

