N-(4-amino-2-chlorophenyl)-2,2-dimethylpropanamide

• ChemBase ID: 307745
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: C(=O)(Nc1c(cc(N)cc1)Cl)C(C)(C)C
• Canonical SMILES: Nc1ccc(c(c1)Cl)NC(=O)C(C)(C)C
• InChI: InChI=1S/C11H15ClN2O/c1-11(2,3)10(15)14-9-5-4-7(13)6-8(9)12/h4-6H,13H2,1-3H3,(H,14,15)
• InChIKey: UVAVPWJVSUUELJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 680989-90-6
• MDL Number: MFCD03906879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.782204
• LogD (pH = 7.4): 2.7855678
• Log P: 2.7856114
• Molar Refractivity: 64.1286 cm^3
• Polarizability: 23.757776 Å^3
• Polar Surface Area: 55.12 Å^2