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

• ChemBase ID: 57944
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(c1c(N)cccc1)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)c1ccccc1N
• InChI: InChI=1S/C14H14N2O2/c1-18-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15/h2-9H,15H2,1H3,(H,16,17)
• InChIKey: VOUMPTOODFUGMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 20878-54-0
• MDL Number: MFCD00434408
• PubChem SID: 162062707
• PubChem CID: 478820

CALCULATED PROPERTIES

• Acid pKa: 12.136202
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7282982
• LogD (pH = 7.4): 2.7285228
• Log P: 2.7285335
• Molar Refractivity: 72.7551 cm^3
• Polarizability: 26.592268 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.418

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%