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

• ChemBase ID: 231870
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(c1c(N)cccc1)Nc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)NC(=O)c1ccccc1N
• InChI: InChI=1S/C15H16N2O/c1-2-11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)16/h3-10H,2,16H2,1H3,(H,17,18)
• InChIKey: VSRZMOHTAFADKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-ethylphenyl)benzamide
• IUPAC Traditional name: 2-amino-N-(4-ethylphenyl)benzamide
• Synonyms: 2-Amino-N-(4-ethyl-phenyl)-benzamide

Database IDs

• CAS Number: 60624-39-7
• MDL Number: MFCD00442832
• PubChem SID: 164287780
• PubChem CID: 837420

CALCULATED PROPERTIES

• Acid pKa: 12.482635
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.8438852
• LogD (pH = 7.4): 3.8441875
• Log P: 3.8441947
• Molar Refractivity: 75.9341 cm^3
• Polarizability: 27.694485 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.371

Product Information

• Purity: 95%