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A1BOK

Summary
Name:(3S)-1-{[2-chloro-5-(trifluoromethyl)phenyl]acetyl}pyrrolidine-3-carboxamide
Formula:C14 H14 Cl F3 N2 O2
Formal charge:0
Formula weight:334.721 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-{[2-chloro-5-(trifluoromethyl)phenyl]acetyl}pyrrolidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanoyl]pyrrolidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(N)C1CCN(C1)C(=O)Cc1cc(ccc1Cl)C(F)(F)F
InChIInChI1.06InChI=1S/C14H14ClF3N2O2/c15-11-2-1-10(14(16,17)18)5-9(11)6-12(21)20-4-3-8(7-20)13(19)22/h1-2,5,8H,3-4,6-7H2,(H2,19,22)/t8-/m0/s1
InChIKeyInChI1.06HVQIWPCPNWMLEJ-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCN(C1)C(=O)Cc2cc(ccc2Cl)C(F)(F)F
SMILESCACTVS3.385NC(=O)[CH]1CCN(C1)C(=O)Cc2cc(ccc2Cl)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(cc1C(F)(F)F)CC(=O)N2CC[C@@H](C2)C(=O)N)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(cc1C(F)(F)F)CC(=O)N2CCC(C2)C(=O)N)Cl

246704

PDB entries from 2025-12-24

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