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

E23

Summary
Name:N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
Formula:C19 H20 F3 N O
Formal charge:0
Formula weight:335.363 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
OpenEye OEToolkits1.9.2N-[(4-tert-butylphenyl)methyl]-2-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCc1ccc(cc1)C(C)(C)C)c2ccccc2C(F)(F)F
InChIInChI1.03InChI=1S/C19H20F3NO/c1-18(2,3)14-10-8-13(9-11-14)12-23-17(24)15-6-4-5-7-16(15)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyInChI1.03RYYHDFPDKHYSSE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
SMILESCACTVS3.385CC(C)(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F
SMILESOpenEye OEToolkits1.9.2CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon