4-methyl-3-(2-oxoimidazolidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}benzamide

• ChemBase ID: 760772
• Molecular Formular: C19H18F3N3O2
• Molecular Mass: 377.3603296
• Monoisotopic Mass: 377.13511149
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCc2c(C(F)(F)F)cccc2)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NCc1ccccc1C(F)(F)F
• InChI: InChI=1S/C19H18F3N3O2/c1-12-6-7-13(10-16(12)25-9-8-23-18(25)27)17(26)24-11-14-4-2-3-5-15(14)19(20,21)22/h2-7,10H,8-9,11H2,1H3,(H,23,27)(H,24,26)
• InChIKey: NVBPSOZFGDMWPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}benzamide
• IUPAC Traditional name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}benzamide
• Synonyms: 4-methyl-3-(2-oxo-1-imidazolidinyl)-N-[2-(trifluoromethyl)benzyl]benzamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.35
• LOG S: -3.96
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 2

JChem

• Molar Refractivity: 95.2439 cm^3
• Polarizability: 34.59645 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.745897
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9836872
• LogD (pH = 7.4): 2.9836872
• Log P: 2.9836872