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U1N

Summary
Name:4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
Formula:C19 H21 F N2 O2
Formal charge:0
Formula weight:328.381 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide
OpenEye OEToolkits1.5.04-[(3R)-3-[[2-(4-fluorophenyl)-2-oxo-ethyl]amino]butyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ccc(F)cc1)CNC(C)CCc2ccc(C(=O)N)cc2
SMILES_CANONICALCACTVS3.341C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c2ccc(F)cc2
SMILESCACTVS3.341C[CH](CCc1ccc(cc1)C(N)=O)NCC(=O)c2ccc(F)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F
SMILESOpenEye OEToolkits1.5.0CC(CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F
InChIInChI1.03InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1
InChIKeyInChI1.03OIWWNWQZJJKBTR-CYBMUJFWSA-N

250359

PDB entries from 2026-03-11

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