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

• ChemBase ID: 279629
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(c1c(N)cccc1)Nc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1NC(=O)c1ccccc1N
• InChI: InChI=1S/C15H16N2O2/c1-2-19-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h3-10H,2,16H2,1H3,(H,17,18)
• InChIKey: FSHKBBPDYLWQPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02031759
• PubChem SID: 164335539
• PubChem CID: 16228118

CALCULATED PROPERTIES

• Acid pKa: 11.479808
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0850565
• LogD (pH = 7.4): 3.0853035
• Log P: 3.0853415
• Molar Refractivity: 77.5037 cm^3
• Polarizability: 28.43665 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.357

Product Information

• Purity: 95%