3-amino-4-methoxy-N-phenylbenzamide

• ChemBase ID: 52257
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(c1cc(c(cc1)OC)N)Nc1ccccc1
• Canonical SMILES: COc1ccc(cc1N)C(=O)Nc1ccccc1
• InChI: InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
• InChIKey: LHMQDVIHBXWNII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-methoxy-N-phenylbenzamide
• IUPAC Traditional name: 3-amino-4-methoxy-N-phenylbenzamide
• Synonyms: 3-Amino-4-methoxybenzanilide; 3-Amino-4-methoxy-N-phenylbenzamide; 3-Amino-4-methoxybenzanilide; 3-Amino-p-anisanilide; 3-Amino-4-methoxybenzanilide; 3-氨基-4-甲氧基萘氨

Database IDs

• CAS Number: 120-35-4
• EC Number: 204-388-4
• MDL Number: MFCD00017166
• PubChem SID: 162057020
• PubChem CID: 8426

CALCULATED PROPERTIES

• Acid pKa: 14.219799
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0767128
• LogD (pH = 7.4): 2.0785103
• Log P: 2.0785334
• Molar Refractivity: 72.7551 cm^3
• Polarizability: 26.592783 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154-156°C; 154-156°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: CV7400000
• TSCA Listed: false; 是

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05203567

MP Biomedicals Rare Chemical collection