N-(5-amino-2-fluorophenyl)-4-(2-ethoxyethoxy)benzamide

• ChemBase ID: 23521
• Molecular Formular: C17H19FN2O3
• Molecular Mass: 318.3427632
• Monoisotopic Mass: 318.1379707
• SMILES: C(=O)(Nc1cc(N)ccc1F)c1ccc(cc1)OCCOCC
• Canonical SMILES: CCOCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1F
• InChI: InChI=1S/C17H19FN2O3/c1-2-22-9-10-23-14-6-3-12(4-7-14)17(21)20-16-11-13(19)5-8-15(16)18/h3-8,11H,2,9-10,19H2,1H3,(H,20,21)
• InChIKey: GYDLHXPLBQXQNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-fluorophenyl)-4-(2-ethoxyethoxy)benzamide
• IUPAC Traditional name: N-(5-amino-2-fluorophenyl)-4-(2-ethoxyethoxy)benzamide
• Synonyms: N-(5-Amino-2-fluorophenyl)-4-(2-ethoxyethoxy)-benzamide

Database IDs

• MDL Number: MFCD09997516
• PubChem SID: 160986828
• PubChem CID: 28306887

CALCULATED PROPERTIES

• Acid pKa: 10.920722
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.527569
• LogD (pH = 7.4): 2.5308979
• Log P: 2.5310678
• Molar Refractivity: 88.7636 cm^3
• Polarizability: 32.49528 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false