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Summary
Name:N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE
Formula:C15 H13 Br F N O2
Formal charge:0
Formula weight:338.172 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
OpenEye OEToolkits1.5.0N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxy-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1ccc(cc1)C(NC(=O)c2cc(F)ccc2O)C
SMILES_CANONICALCACTVS3.341C[C@@H](NC(=O)c1cc(F)ccc1O)c2ccc(Br)cc2
SMILESCACTVS3.341C[CH](NC(=O)c1cc(F)ccc1O)c2ccc(Br)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F
SMILESOpenEye OEToolkits1.5.0CC(c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F
InChIInChI1.03InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyInChI1.03KFTNEILVDDUXGR-SECBINFHSA-N

225158

PDB entries from 2024-09-18

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