N-(5-amino-2-fluorophenyl)-2-(2-methoxyphenoxy)acetamide

• ChemBase ID: 23250
• Molecular Formular: C15H15FN2O3
• Molecular Mass: 290.2896032
• Monoisotopic Mass: 290.10667057
• SMILES: c1(NC(=O)COc2c(OC)cccc2)cc(N)ccc1F
• Canonical SMILES: COc1ccccc1OCC(=O)Nc1cc(N)ccc1F
• InChI: InChI=1S/C15H15FN2O3/c1-20-13-4-2-3-5-14(13)21-9-15(19)18-12-8-10(17)6-7-11(12)16/h2-8H,9,17H2,1H3,(H,18,19)
• InChIKey: KVBYPXHQACXHMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09734261
• PubChem SID: 160986557
• PubChem CID: 16787501

CALCULATED PROPERTIES

• Acid pKa: 11.160909
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8805463
• LogD (pH = 7.4): 1.8838496
• Log P: 1.8839644
• Molar Refractivity: 78.2631 cm^3
• Polarizability: 28.84163 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false