
 CHEMBL178066

 47 49  0  0  0  0  0  0  0  0999 V2000
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    1.9803   -0.0321    0.5790 C   0  0  0  0  0
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    4.2270   -0.2493    0.3578 C   0  0  0  0  0
    3.9665    0.9453    1.0223 C   0  0  0  0  0
    2.6027    1.0530    1.1438 N   0  0  0  0  0
    4.9792    1.8106    1.4455 C   0  0  0  0  0
    6.3059    1.4399    1.1886 C   0  0  0  0  0
    6.6137    0.2498    0.5316 C   0  0  0  0  0
    5.5732   -0.5982    0.1130 C   0  0  0  0  0
    7.9314   -0.1846    0.2693 N   0  0  0  0  0
    9.1102    0.4859    0.5370 C   0  0  0  0  0
    9.2307    1.6317    0.9555 O   0  0  0  0  0
   10.3507   -0.2872    0.2393 C   0  0  0  0  0
   10.4193   -1.6747    0.4414 C   0  0  0  0  0
   11.6012   -2.3623    0.1556 C   0  0  0  0  0
   12.7075   -1.6632   -0.3165 C   0  0  0  0  0
   12.6601   -0.2860   -0.5020 C   0  0  0  0  0
   11.4810    0.4061   -0.2186 C   0  0  0  0  0
   13.8384   -2.3272   -0.5871 F   0  0  0  0  0
    2.7489   -2.1540   -0.6720 C   0  0  0  0  0
    2.6063   -3.3560    0.2783 C   0  0  0  0  0
    2.4544   -4.6552   -0.4129 N   0  0  0  0  0
    2.4824   -5.7430    0.5704 C   0  0  0  0  0
    1.2099   -4.7251   -1.1826 C   0  0  0  0  0
    0.2000   -1.1563    0.9172 H   0  0  0  0  0
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    4.7571    2.7409    1.9585 H   0  0  0  0  0
    7.0856    2.1155    1.5278 H   0  0  0  0  0
    5.7856   -1.5300   -0.4009 H   0  0  0  0  0
    8.0039   -1.0706   -0.2129 H   0  0  0  0  0
    9.5767   -2.2268    0.8487 H   0  0  0  0  0
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   13.5396    0.2402   -0.8599 H   0  0  0  0  0
   11.4420    1.4855   -0.3543 H   0  0  0  0  0
    3.5829   -2.3273   -1.3633 H   0  0  0  0  0
    1.8518   -2.0436   -1.2921 H   0  0  0  0  0
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    3.5122   -3.3966    0.8987 H   0  0  0  0  0
    3.4354   -5.7505    1.1106 H   0  0  0  0  0
    2.3991   -6.7159    0.0728 H   0  0  0  0  0
    1.6697   -5.6601    1.3016 H   0  0  0  0  0
    1.2197   -4.0168   -2.0166 H   0  0  0  0  0
    0.3281   -4.5256   -0.5632 H   0  0  0  0  0
    1.0923   -5.7162   -1.6362 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
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  8 31  1  0  0  0
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 12 13  2  0  0  0
 14 15  2  0  0  0
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 19 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL178066

>  <PubChem CID>
9840850

>  <Formula>
C20H22FN3O

>  <Molecular Weight>
339.414000

>  <IUPAC Name>
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-4-fluorobenzamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C2=C(N1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)CCN(C)C

>  <Isomeric SMILES>
CC1=C(C2=C(N1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C20H22FN3O/c1-13-17(10-11-24(2)3)18-12-16(8-9-19(18)22-13)23-20(25)14-4-6-15(21)7-5-14/h4-9,12,22H,10-11H2,1-3H3,(H,23,25)

>  <InChI Key>
IIHVBDVYBDSPPU-UHFFFAOYSA-N

