N-(5-amino-2-fluorophenyl)-2-ethoxybenzamide

• ChemBase ID: 23279
• Molecular Formular: C15H15FN2O2
• Molecular Mass: 274.2902032
• Monoisotopic Mass: 274.11175595
• SMILES: C(=O)(c1c(OCC)cccc1)Nc1cc(N)ccc1F
• Canonical SMILES: CCOc1ccccc1C(=O)Nc1cc(N)ccc1F
• InChI: InChI=1S/C15H15FN2O2/c1-2-20-14-6-4-3-5-11(14)15(19)18-13-9-10(17)7-8-12(13)16/h3-9H,2,17H2,1H3,(H,18,19)
• InChIKey: SZYBDCQNNTWTSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-fluorophenyl)-2-ethoxybenzamide
• IUPAC Traditional name: N-(5-amino-2-fluorophenyl)-2-ethoxybenzamide
• Synonyms: N-(5-Amino-2-fluorophenyl)-2-ethoxybenzamide

Database IDs

• MDL Number: MFCD09732298
• PubChem SID: 160986586
• PubChem CID: 16785556

CALCULATED PROPERTIES

• Polarizability: 28.109009 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 10.3272085
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5742006
• LogD (pH = 7.4): 2.5775015
• Log P: 2.5780432
• Molar Refractivity: 77.7201 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false