
 CHEMBL3948212

 55 57  0  0  0  0  0  0  0  0999 V2000
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    0.4976   -0.7528    1.8681 C   0  0  0  0  0
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    4.0993   -1.1628    1.4251 F   0  0  0  0  0
    1.8293   -2.6094    0.8922 N   0  0  0  0  0
    2.5546   -3.6920    1.5193 C   0  0  0  0  0
    2.5272   -4.8325    0.4905 C   0  0  0  0  0
    1.2836   -4.5130   -0.3625 C   0  0  0  0  0
    1.0540   -3.0364   -0.1808 C   0  0  0  0  0
    0.3156   -2.3703   -0.8874 O   0  0  0  0  0
    2.3697   -6.2064    1.2359 C   0  0  0  0  0
    1.9921   -7.3971    0.3417 C   0  0  0  0  0
    3.5944   -6.5641    2.0922 C   0  0  0  0  0
    3.7751   -4.8137   -0.4329 C   0  0  0  0  0
    4.2559   -5.8667   -0.8453 O   0  0  0  0  0
    4.2464   -3.5625   -0.8025 N   0  0  0  0  0
    5.3471   -3.2981   -1.6532 C   0  0  0  0  0
    5.8475   -1.9901   -1.6758 C   0  0  0  0  0
    6.9527   -1.6480   -2.4761 C   0  0  0  0  0
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    8.1761   -6.0436   -3.4423 F   0  0  0  0  0
    6.7481   -5.5726   -5.0159 F   0  0  0  0  0
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    7.5100   -0.2445   -2.4834 C   0  0  0  0  0
    8.8476   -0.2164   -2.2285 F   0  0  0  0  0
    7.3452    0.3713   -3.6858 F   0  0  0  0  0
    6.9373    0.5750   -1.5592 F   0  0  0  0  0
   -0.7448   -2.5197    1.8729 H   0  0  0  0  0
   -1.2582   -1.2411    0.7268 H   0  0  0  0  0
   -1.5450   -1.0808    2.4655 H   0  0  0  0  0
    3.8393    1.1495    2.5332 H   0  0  0  0  0
    1.6651    2.2163    3.1196 H   0  0  0  0  0
   -0.4443    1.0151    2.7041 H   0  0  0  0  0
    2.0054   -3.9497    2.4330 H   0  0  0  0  0
    3.5690   -3.3945    1.8002 H   0  0  0  0  0
    1.4283   -4.7364   -1.4239 H   0  0  0  0  0
    0.3835   -5.0195    0.0021 H   0  0  0  0  0
    1.5295   -6.0966    1.9371 H   0  0  0  0  0
    2.7743   -7.6554   -0.3754 H   0  0  0  0  0
    1.0701   -7.2078   -0.2153 H   0  0  0  0  0
    1.8156   -8.2872    0.9565 H   0  0  0  0  0
    4.4793   -6.7697    1.4826 H   0  0  0  0  0
    3.3955   -7.4622    2.6872 H   0  0  0  0  0
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    3.8511   -2.7463   -0.3445 H   0  0  0  0  0
    5.3942   -1.2229   -1.0481 H   0  0  0  0  0
    8.3930   -2.3745   -3.9150 H   0  0  0  0  0
    5.5782   -5.2820   -2.5046 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6 39  1  0  0  0
  7 40  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3948212

>  <PubChem CID>
51034686

>  <Formula>
C23H21F7N2O2

>  <Molecular Weight>
490.422000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)F)N2CC(CC2=O)(C(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)F)N2CC(CC2=O)(C(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C23H21F7N2O2/c1-12(2)21(10-18(33)32(11-21)19-13(3)5-4-6-17(19)24)20(34)31-16-8-14(22(25,26)27)7-15(9-16)23(28,29)30/h4-9,12H,10-11H2,1-3H3,(H,31,34)

>  <InChI Key>
JRRJFDMMYYBAPC-UHFFFAOYSA-N

