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O64

Summary
Name:2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide
Formula:C12 H11 Cl F3 N O2
Formal charge:0
Formula weight:293.669 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-N-[(2S)-1-oxobutan-2-yl]-3-(trifluoromethyl)benzamide
OpenEye OEToolkits1.7.02-chloro-N-[(2S)-1-oxobutan-2-yl]-3-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cccc(C(=O)NC(C=O)CC)c1Cl
SMILES_CANONICALCACTVS3.370CC[C@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)C=O
SMILESCACTVS3.370CC[CH](NC(=O)c1cccc(c1Cl)C(F)(F)F)C=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CC[C@@H](C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F
SMILESOpenEye OEToolkits1.7.0CCC(C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F
InChIInChI1.03InChI=1S/C12H11ClF3NO2/c1-2-7(6-18)17-11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-7H,2H2,1H3,(H,17,19)/t7-/m0/s1
InChIKeyInChI1.03NPWUKONGKBALPD-ZETCQYMHSA-N

250359

PDB entries from 2026-03-11

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