N-(5-amino-2-fluorophenyl)-2-(2-methoxyethoxy)benzamide

• ChemBase ID: 23312
• Molecular Formular: C16H17FN2O3
• Molecular Mass: 304.3161832
• Monoisotopic Mass: 304.12232063
• SMILES: C(=O)(c1c(OCCOC)cccc1)Nc1cc(N)ccc1F
• Canonical SMILES: COCCOc1ccccc1C(=O)Nc1cc(N)ccc1F
• InChI: InChI=1S/C16H17FN2O3/c1-21-8-9-22-15-5-3-2-4-12(15)16(20)19-14-10-11(18)6-7-13(14)17/h2-7,10H,8-9,18H2,1H3,(H,19,20)
• InChIKey: UMVSACGZAWTOQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09997427
• PubChem SID: 160986619
• PubChem CID: 28306761

CALCULATED PROPERTIES

• Acid pKa: 10.32369
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1704197
• LogD (pH = 7.4): 2.1737142
• Log P: 2.17426
• Molar Refractivity: 84.015 cm^3
• Polarizability: 30.664726 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false