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

FZ0

Summary
Name:2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide
Formula:C9 H9 F3 N2 O2
Formal charge:0
Formula weight:234.175 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-azanyl-~{N}-[3-(trifluoromethyloxy)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H9F3N2O2/c10-9(11,12)16-7-3-1-2-6(4-7)14-8(15)5-13/h1-4H,5,13H2,(H,14,15)
InChIKeyInChI1.03BZQGZAVHPZXJBL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCC(=O)Nc1cccc(OC(F)(F)F)c1
SMILESCACTVS3.385NCC(=O)Nc1cccc(OC(F)(F)F)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)OC(F)(F)F)NC(=O)CN
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)OC(F)(F)F)NC(=O)CN

222624

PDB entries from 2024-07-17

PDB statisticsPDBj update infoContact PDBjnumon