
 U-50488

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    3.2413    0.4143   -2.5851 O   0  0  0  0  0
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M  END

>  <Chemical Name>
U-50488

>  <PubChem CID>
3036289

>  <Formula>
C19H26Cl2N2O

>  <Molecular Weight>
369.330000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1

>  <InChI Key>
VQLPLYSROCPWFF-QZTJIDSGSA-N

