N-(3-amino-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide

• ChemBase ID: 23139
• Molecular Formular: C15H15ClN2O2
• Molecular Mass: 290.7448
• Monoisotopic Mass: 290.08220541
• SMILES: C(=O)(Nc1cc(c(cc1)Cl)N)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1ccc(c(c1)N)Cl
• InChI: InChI=1S/C15H15ClN2O2/c1-20-12-5-2-10(3-6-12)8-15(19)18-11-4-7-13(16)14(17)9-11/h2-7,9H,8,17H2,1H3,(H,18,19)
• InChIKey: QTOIGOKMNSXISH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-amino-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(3-amino-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
• Synonyms: N-(3-Amino-4-chlorophenyl)-2-(4-methoxyphenyl)-acetamide

Database IDs

• MDL Number: MFCD09813821
• PubChem SID: 160986446
• PubChem CID: 20116054

CALCULATED PROPERTIES

• Acid pKa: 13.865352
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6623824
• LogD (pH = 7.4): 2.6627388
• Log P: 2.6627436
• Molar Refractivity: 81.6113 cm^3
• Polarizability: 30.328434 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false