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

• ChemBase ID: 21564
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(c1c(N)cccc1)Nc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)c1ccccc1N
• InChI: InChI=1S/C15H16N2O2/c1-2-19-12-9-7-11(8-10-12)17-15(18)13-5-3-4-6-14(13)16/h3-10H,2,16H2,1H3,(H,17,18)
• InChIKey: BSWXUOKYYNLILZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19562-43-7
• MDL Number: MFCD00578809
• PubChem SID: 160984871
• PubChem CID: 750179

CALCULATED PROPERTIES

• Acid pKa: 12.130325
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0851064
• LogD (pH = 7.4): 3.0853307
• Log P: 3.0853415
• Molar Refractivity: 77.5037 cm^3
• Polarizability: 28.434559 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.947

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%