4-amino-N-(4-ethoxyphenyl)benzamide hydrochloride

• ChemBase ID: 229567
• Molecular Formular: C15H17ClN2O2
• Molecular Mass: 292.76068
• Monoisotopic Mass: 292.09785547
• SMILES: C(=O)(Nc1ccc(cc1)OCC)c1ccc(N)cc1.Cl
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)c1ccc(cc1)N.Cl
• InChI: InChI=1S/C15H16N2O2.ClH/c1-2-19-14-9-7-13(8-10-14)17-15(18)11-3-5-12(16)6-4-11;/h3-10H,2,16H2,1H3,(H,17,18);1H
• InChIKey: WWDDSNHFQQTONS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(4-ethoxyphenyl)benzamide hydrochloride
• IUPAC Traditional name: 4-amino-N-(4-ethoxyphenyl)benzamide hydrochloride
• Synonyms: 4-amino-N-(4-ethoxyphenyl)benzamide hydrochloride

Database IDs

• CAS Number: 109651-02-7
• MDL Number: MFCD08447182
• PubChem SID: 164285477
• PubChem CID: 20847882

CALCULATED PROPERTIES

• Acid pKa: 12.436974
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4344184
• LogD (pH = 7.4): 2.4353259
• Log P: 2.4353414
• Molar Refractivity: 77.5037 cm^3
• Polarizability: 28.432665 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.347

Product Information

• Purity: 95%
• Salt Data: HCl