4-amino-N-(2-methoxyphenyl)benzamide

• ChemBase ID: 23435
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(Nc1c(OC)cccc1)c1ccc(N)cc1
• Canonical SMILES: COc1ccccc1NC(=O)c1ccc(cc1)N
• InChI: InChI=1S/C14H14N2O2/c1-18-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,15H2,1H3,(H,16,17)
• InChIKey: DCVSWMVFHSQIJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(2-methoxyphenyl)benzamide
• IUPAC Traditional name: 4-amino-N-(2-methoxyphenyl)benzamide
• Synonyms: 4-Amino-N-(2-methoxyphenyl)benzamide; 4-Amino-N-(2-methoxy-phenyl)-benzamide

Database IDs

• CAS Number: 787-59-7
• MDL Number: MFCD00568219
• PubChem SID: 160986742
• PubChem CID: 2317363

CALCULATED PROPERTIES

• Acid pKa: 11.794638
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0777323
• LogD (pH = 7.4): 2.0785067
• Log P: 2.0785334
• Molar Refractivity: 72.7551 cm^3
• Polarizability: 26.592459 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 1.228

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%