N-(5-amino-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide

• ChemBase ID: 45549
• Molecular Formular: C15H15FN2O3
• Molecular Mass: 290.2896032
• Monoisotopic Mass: 290.10667057
• SMILES: c1(NC(=O)COc2cc(F)ccc2)cc(N)ccc1OC
• Canonical SMILES: COc1ccc(cc1NC(=O)COc1cccc(c1)F)N
• InChI: InChI=1S/C15H15FN2O3/c1-20-14-6-5-11(17)8-13(14)18-15(19)9-21-12-4-2-3-10(16)7-12/h2-8H,9,17H2,1H3,(H,18,19)
• InChIKey: OTBCZFWQBCSQLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-2-(3-fluorophenoxy)-acetamide

Database IDs

• MDL Number: MFCD09735962
• PubChem SID: 162050312
• PubChem CID: 16789200

CALCULATED PROPERTIES

• Acid pKa: 11.566118
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8400857
• LogD (pH = 7.4): 1.883355
• Log P: 1.8839644
• Molar Refractivity: 78.2631 cm^3
• Polarizability: 28.839674 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