N-(4-amino-2-methoxyphenyl)acetamide hydrochloride

• ChemBase ID: 310332
• Molecular Formular: C9H13ClN2O2
• Molecular Mass: 216.66472
• Monoisotopic Mass: 216.06655535
• SMILES: N(c1c(cc(N)cc1)OC)C(=O)C.Cl
• Canonical SMILES: COc1cc(N)ccc1NC(=O)C.Cl
• InChI: InChI=1S/C9H12N2O2.ClH/c1-6(12)11-8-4-3-7(10)5-9(8)13-2;/h3-5H,10H2,1-2H3,(H,11,12);1H
• InChIKey: ZPVJKHYOGYKSPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-methoxyphenyl)acetamide hydrochloride
• IUPAC Traditional name: N-(4-amino-2-methoxyphenyl)acetamide hydrochloride
• Synonyms: N-(4-amino-2-methoxyphenyl)acetamide hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21789843
• LogD (pH = 7.4): 0.22427672
• Log P: 0.22435896
• Molar Refractivity: 52.0846 cm^3
• Polarizability: 18.875662 Å^3
• Polar Surface Area: 64.35 Å^2