
 N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

 53 55  0  0  0  0  0  0  0  0999 V2000
    3.3595   -6.7483   -3.7028 C   0  0  0  0  0
    4.7390   -6.1373   -3.5354 C   0  0  0  0  0
    4.7674   -4.8880   -4.2322 O   0  0  0  0  0
    5.7660   -4.0372   -3.8445 C   0  0  0  0  0
    5.5011   -2.6776   -4.0005 C   0  0  0  0  0
    6.4226   -1.7222   -3.5588 C   0  0  0  0  0
    7.6273   -2.1186   -2.9656 C   0  0  0  0  0
    7.9176   -3.4819   -2.8823 C   0  0  0  0  0
    6.9941   -4.4361   -3.3230 C   0  0  0  0  0
    8.4533   -1.1068   -2.4319 N   0  0  0  0  0
    9.6448   -1.2823   -1.7512 C   0  0  0  0  0
   10.2911   -2.3186   -1.6615 O   0  0  0  0  0
   10.1488   -0.0146   -1.0959 C   0  0  0  0  0
   11.1121    0.6998   -2.0379 C   0  0  0  0  0
   11.7089    1.9133   -1.4446 N   0  0  0  0  0
   12.6428    1.6113   -0.3379 C   0  0  0  0  0
   13.8978    0.7940   -0.7198 C   0  0  0  0  0
   14.5974    1.2890   -1.9343 N   0  0  0  0  0
   13.7410    1.8866   -2.9874 C   0  0  0  0  0
   12.5113    2.6488   -2.4479 C   0  0  0  0  0
   15.6727    0.4700   -2.3821 C   0  0  0  0  0
   16.0637    0.4394   -3.7381 C   0  0  0  0  0
   17.0941   -0.3888   -4.2103 C   0  0  0  0  0
   17.7985   -1.2011   -3.3328 C   0  0  0  0  0
   17.4799   -1.1694   -1.9833 C   0  0  0  0  0
   16.4464   -0.3465   -1.5219 C   0  0  0  0  0
   16.2261   -0.3753   -0.1979 F   0  0  0  0  0
    3.2910   -7.7006   -3.1713 H   0  0  0  0  0
    3.1368   -6.9156   -4.7616 H   0  0  0  0  0
    2.5902   -6.0720   -3.3162 H   0  0  0  0  0
    5.4901   -6.8125   -3.9598 H   0  0  0  0  0
    4.9282   -5.9966   -2.4636 H   0  0  0  0  0
    4.5576   -2.3590   -4.4361 H   0  0  0  0  0
    6.1686   -0.6716   -3.6617 H   0  0  0  0  0
    8.8469   -3.8447   -2.4567 H   0  0  0  0  0
    7.2599   -5.4843   -3.2331 H   0  0  0  0  0
    8.0914   -0.1632   -2.4911 H   0  0  0  0  0
   10.6317   -0.3179   -0.1599 H   0  0  0  0  0
    9.3085    0.6356   -0.8234 H   0  0  0  0  0
   10.5438    0.9946   -2.9303 H   0  0  0  0  0
   11.8719   -0.0090   -2.3880 H   0  0  0  0  0
   12.1200    1.1110    0.4847 H   0  0  0  0  0
   12.9731    2.5672    0.0931 H   0  0  0  0  0
   14.5610    0.8667    0.1476 H   0  0  0  0  0
   13.6120   -0.2569   -0.8554 H   0  0  0  0  0
   14.3305    2.6082   -3.5676 H   0  0  0  0  0
   13.3883    1.1050   -3.6726 H   0  0  0  0  0
   12.8488    3.5919   -1.9969 H   0  0  0  0  0
   11.8703    2.9449   -3.2873 H   0  0  0  0  0
   15.5664    1.0510   -4.4848 H   0  0  0  0  0
   17.3383   -0.3928   -5.2693 H   0  0  0  0  0
   18.5938   -1.8454   -3.6958 H   0  0  0  0  0
   18.0255   -1.7807   -1.2715 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  2  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
M  END

>  <Chemical Name>
N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

>  <PubChem CID>
4226151

>  <Formula>
C21H26FN3O2

>  <Molecular Weight>
371.456000

>  <IUPAC Name>
N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3F

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3F

>  <InChI Std. ID>
InChI=1S/C21H26FN3O2/c1-2-27-18-9-7-17(8-10-18)23-21(26)11-12-24-13-15-25(16-14-24)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)

>  <InChI Key>
BZQNGDFWFBIFAC-UHFFFAOYSA-N

