N-(2-amino-4-chlorophenyl)-2-methylpropanamide

• ChemBase ID: 308146
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: C(=O)(Nc1c(cc(cc1)Cl)N)C(C)C
• Canonical SMILES: O=C(C(C)C)Nc1ccc(cc1N)Cl
• InChI: InChI=1S/C10H13ClN2O/c1-6(2)10(14)13-9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
• InChIKey: YCXWEZUJLYFKCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-chlorophenyl)-2-methylpropanamide
• IUPAC Traditional name: N-(2-amino-4-chlorophenyl)-2-methylpropanamide
• Synonyms: N-(2-amino-4-chlorophenyl)-2-methylpropanamide

Database IDs

• CAS Number: 86569-49-5
• MDL Number: MFCD09047734

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2290583
• LogD (pH = 7.4): 2.2295902
• Log P: 2.229597
• Molar Refractivity: 59.6276 cm^3
• Polarizability: 21.90673 Å^3
• Polar Surface Area: 55.12 Å^2