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

• ChemBase ID: 312226
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(Nc1c(CC)cccc1)c1cc(N)ccc1
• Canonical SMILES: CCc1ccccc1NC(=O)c1cccc(c1)N
• InChI: InChI=1S/C15H16N2O/c1-2-11-6-3-4-9-14(11)17-15(18)12-7-5-8-13(16)10-12/h3-10H,2,16H2,1H3,(H,17,18)
• InChIKey: HWDVQMUXGBTNHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(2-ethylphenyl)benzamide
• IUPAC Traditional name: 3-amino-N-(2-ethylphenyl)benzamide
• Synonyms: 3-amino-N-(2-ethylphenyl)benzamide

Database IDs

• CAS Number: 897594-72-8
• MDL Number: MFCD03166495

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.192193
• LogD (pH = 7.4): 3.1941695
• Log P: 3.1941948
• Molar Refractivity: 75.9341 cm^3
• Polarizability: 27.694365 Å^3
• Polar Surface Area: 55.12 Å^2