Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

C7

Summary
Name:N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
Formula:C17 H15 F3 N2 O3
Formal charge:0
Formula weight:352.308 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
OpenEye OEToolkits2.0.7~{N}-[2-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-3-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NO)CCc1c(cccc1)NC(c2cc(ccc2)C(F)(F)F)=O
InChIInChI1.03InChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-3-5-12(10-13)16(24)21-14-7-2-1-4-11(14)8-9-15(23)22-25/h1-7,10,25H,8-9H2,(H,21,24)(H,22,23)
InChIKeyInChI1.03QXXNUWFIASXMCG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ONC(=O)CCc1ccccc1NC(=O)c2cccc(c2)C(F)(F)F
SMILESCACTVS3.385ONC(=O)CCc1ccccc1NC(=O)c2cccc(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon