2-(4-aminophenyl)-N-(2-fluorophenyl)acetamide

• ChemBase ID: 269792
• Molecular Formular: C14H13FN2O
• Molecular Mass: 244.2642232
• Monoisotopic Mass: 244.10119127
• SMILES: C(=O)(Nc1c(F)cccc1)Cc1ccc(N)cc1
• Canonical SMILES: O=C(Nc1ccccc1F)Cc1ccc(cc1)N
• InChI: InChI=1S/C14H13FN2O/c15-12-3-1-2-4-13(12)17-14(18)9-10-5-7-11(16)8-6-10/h1-8H,9,16H2,(H,17,18)
• InChIKey: PCPMDOZKHIZXMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-N-(2-fluorophenyl)acetamide
• IUPAC Traditional name: 2-(4-aminophenyl)-N-(2-fluorophenyl)acetamide
• Synonyms: 2-(4-aminophenyl)-N-(2-fluorophenyl)acetamide

Database IDs

• MDL Number: MFCD09743016
• PubChem SID: 164325702
• PubChem CID: 16796198

CALCULATED PROPERTIES

• Acid pKa: 11.841561
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3444095
• LogD (pH = 7.4): 2.3588693
• Log P: 2.359072
• Molar Refractivity: 70.5597 cm^3
• Polarizability: 25.59577 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112°C
• Hydrophobicity(logP): 1.273

Product Information

• Purity: 95%