N-(2-fluoro-4-methylphenyl)-2-[(4-methylpentan-2-yl)amino]acetamide

• ChemBase ID: 750203
• Molecular Formular: C15H23FN2O
• Molecular Mass: 266.3543232
• Monoisotopic Mass: 266.17944159
• SMILES: N(c1c(cc(cc1)C)F)C(=O)CNC(CC(C)C)C
• Canonical SMILES: CC(CC(NCC(=O)Nc1ccc(cc1F)C)C)C
• InChI: InChI=1S/C15H23FN2O/c1-10(2)7-12(4)17-9-15(19)18-14-6-5-11(3)8-13(14)16/h5-6,8,10,12,17H,7,9H2,1-4H3,(H,18,19)
• InChIKey: GALSWMGSMKLYIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoro-4-methylphenyl)-2-[(4-methylpentan-2-yl)amino]acetamide
• IUPAC Traditional name: N-(2-fluoro-4-methylphenyl)-2-[(4-methylpentan-2-yl)amino]acetamide
• Synonyms: 2-[(1,3-dimethylbutyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.70134
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.4430634
• LogD (pH = 7.4): 2.0106528
• Log P: 3.4030232
• Molar Refractivity: 77.1539 cm^3
• Polarizability: 29.198736 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.19
• LOG S: -3.86
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 6