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Summary Geometry Related PDB entries

KF0

Summary

Name:	N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide
Formula:	C14 H14 Cl F3 N2 O2
Formal charge:	0
Formula weight:	334.721 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide
OpenEye OEToolkits	2.0.7	(2~{S})-~{N}-[[2-chloranyl-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxidanylidene-pyrrolidine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1CCC(C(=O)NCc2cccc(c2Cl)C(F)(F)F)N1C
InChI	InChI	1.06	InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
InChIKey	InChI	1.06	BJEMSIVBBUBXMZ-JTQLQIEISA-N
SMILES_CANONICAL	CACTVS	3.385	CN1[C@@H](CCC1=O)C(=O)NCc2cccc(c2Cl)C(F)(F)F
SMILES	CACTVS	3.385	CN1[CH](CCC1=O)C(=O)NCc2cccc(c2Cl)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1[C@@H](CCC1=O)C(=O)NCc2cccc(c2Cl)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	CN1C(CCC1=O)C(=O)NCc2cccc(c2Cl)C(F)(F)F

249524

PDB entries from 2026-02-18

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