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

• ChemBase ID: 45547
• Molecular Formular: C14H12F2N2O2
• Molecular Mass: 278.2540864
• Monoisotopic Mass: 278.08668407
• SMILES: c1(NC(=O)COc2cc(F)ccc2)cc(N)ccc1F
• Canonical SMILES: O=C(Nc1cc(N)ccc1F)COc1cccc(c1)F
• InChI: InChI=1S/C14H12F2N2O2/c15-9-2-1-3-11(6-9)20-8-14(19)18-13-7-10(17)4-5-12(13)16/h1-7H,8,17H2,(H,18,19)
• InChIKey: LZPVKDSXNXAXRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09732125
• PubChem SID: 162050310
• PubChem CID: 16785386

CALCULATED PROPERTIES

• Acid pKa: 11.161054
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.180814
• LogD (pH = 7.4): 2.1842215
• Log P: 2.1843376
• Molar Refractivity: 72.0163 cm^3
• Polarizability: 26.040945 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false