N-methyl-2-(methylamino)-N-{[2-(trifluoromethyl)phenyl]methyl}acetamide

• ChemBase ID: 742612
• Molecular Formular: C12H15F3N2O
• Molecular Mass: 260.2555096
• Monoisotopic Mass: 260.11364777
• SMILES: C(c1c(CN(C(=O)CNC)C)cccc1)(F)(F)F
• Canonical SMILES: CNCC(=O)N(Cc1ccccc1C(F)(F)F)C
• InChI: InChI=1S/C12H15F3N2O/c1-16-7-11(18)17(2)8-9-5-3-4-6-10(9)12(13,14)15/h3-6,16H,7-8H2,1-2H3
• InChIKey: RIURKYDEYQEHRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylamino)-N-{[2-(trifluoromethyl)phenyl]methyl}acetamide
• IUPAC Traditional name: N-methyl-2-(methylamino)-N-{[2-(trifluoromethyl)phenyl]methyl}acetamide
• Synonyms: N~1~,N~2~-dimethyl-N~1~-[2-(trifluoromethyl)benzyl]glycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4480463
• LogD (pH = 7.4): 0.10344187
• Log P: 1.527836
• Molar Refractivity: 62.9799 cm^3
• Polarizability: 23.366032 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 0.94
• LOG S: -1.9
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4