
 EPPTB

 48 50  0  0  0  0  0  0  0  0999 V2000
    7.2268   -0.6477    5.6340 C   0  0  0  0  0
    7.2743   -0.8247    4.1267 C   0  0  0  0  0
    5.9331   -0.7870    3.6354 O   0  0  0  0  0
    5.7924   -0.8220    2.2734 C   0  0  0  0  0
    4.6021   -0.2803    1.7882 C   0  0  0  0  0
    4.3486   -0.2541    0.4185 C   0  0  0  0  0
    5.2803   -0.7914   -0.4707 C   0  0  0  0  0
    6.4625   -1.3726    0.0041 C   0  0  0  0  0
    6.7141   -1.3763    1.3802 C   0  0  0  0  0
    7.3455   -1.9175   -0.9546 N   0  0  0  0  0
    8.4740   -2.6774   -0.7090 C   0  0  0  0  0
    8.8662   -3.0919    0.3749 O   0  0  0  0  0
    9.2499   -3.0539   -1.9219 C   0  0  0  0  0
    9.4572   -2.1608   -2.9726 C   0  0  0  0  0
   10.2378   -2.5085   -4.1148 C   0  0  0  0  0
   10.8004   -3.8059   -4.2239 C   0  0  0  0  0
   10.5817   -4.6632   -3.1137 C   0  0  0  0  0
    9.8356   -4.3049   -1.9855 C   0  0  0  0  0
   11.5515   -4.2782   -5.2848 N   0  0  0  0  0
   11.5427   -3.7723   -6.6621 C   0  0  0  0  0
   12.1146   -4.9095   -7.5073 C   0  0  0  0  0
   13.0404   -5.6221   -6.5447 C   0  0  0  0  0
   12.2553   -5.5711   -5.2408 C   0  0  0  0  0
   10.4386   -1.3926   -5.1185 C   0  0  0  0  0
   11.7387   -1.1544   -5.4415 F   0  0  0  0  0
    9.7713   -1.5927   -6.2898 F   0  0  0  0  0
    9.9728   -0.1843   -4.6701 F   0  0  0  0  0
    8.2363   -0.6062    6.0528 H   0  0  0  0  0
    6.6887   -1.4809    6.0981 H   0  0  0  0  0
    6.6910    0.2684    5.9031 H   0  0  0  0  0
    7.7440   -1.7892    3.9067 H   0  0  0  0  0
    7.8596   -0.0100    3.6834 H   0  0  0  0  0
    3.8758    0.1336    2.4829 H   0  0  0  0  0
    3.4249    0.1809    0.0465 H   0  0  0  0  0
    5.0584   -0.7641   -1.5341 H   0  0  0  0  0
    7.6261   -1.8184    1.7585 H   0  0  0  0  0
    7.0635   -1.8093   -1.9205 H   0  0  0  0  0
    9.0540   -1.1525   -2.8893 H   0  0  0  0  0
   10.9961   -5.6686   -3.0992 H   0  0  0  0  0
    9.7190   -5.0126   -1.1669 H   0  0  0  0  0
   12.1964   -2.9006   -6.7520 H   0  0  0  0  0
   10.5371   -3.5371   -7.0179 H   0  0  0  0  0
   11.3094   -5.5829   -7.8252 H   0  0  0  0  0
   12.6287   -4.5466   -8.4020 H   0  0  0  0  0
   13.2712   -6.6452   -6.8546 H   0  0  0  0  0
   13.9820   -5.0697   -6.4434 H   0  0  0  0  0
   11.5323   -6.3959   -5.2141 H   0  0  0  0  0
   12.9349   -5.6484   -4.3854 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 35  1  0  0  0
  8  9  2  0  0  0
  8 10  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  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 40  1  0  0  0
 19 23  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
EPPTB

>  <PubChem CID>
25175634

>  <Formula>
C20H21F3N2O2

>  <Molecular Weight>
378.395000

>  <IUPAC Name>
N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)C(F)(F)F

>  <Isomeric SMILES>
CCOC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)

>  <InChI Key>
KLFVWQCQUXXLOU-UHFFFAOYSA-N

