KUU

(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide

Created:2023-08-14
Last modified:  2023-11-08

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count1
Bond Count41
Aromatic Bond Count12
2D diagram of KUU

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Chemical Component Summary

Name(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
Systematic Name (OpenEye OEToolkits)(2~{R})-2-(3-chlorophenyl)-3-methyl-~{N}-(4-methylpyridin-3-yl)butanamide
FormulaC17 H19 Cl N2 O
Molecular Weight302.799
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C
SMILESCACTVS3.385CC(C)[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
SMILESOpenEye OEToolkits2.0.7Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(C)C
Canonical SMILESCACTVS3.385 CC(C)[C@@H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccncc1NC(=O)[C@@H](c2cccc(c2)Cl)C(C)C
InChIInChI1.06 InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyInChI1.06 AIEXTLCJBMNDNF-MRXNPFEDSA-N