2-azido-2-(4-fluorophenyl)acetamide

• ChemBase ID: 267640
• Molecular Formular: C8H7FN4O
• Molecular Mass: 194.1657832
• Monoisotopic Mass: 194.06038908
• SMILES: [N+](=[N-])=NC(C(=O)N)c1ccc(cc1)F
• Canonical SMILES: NC(=O)C(c1ccc(cc1)F)N=[N+]=[N-]
• InChI: InChI=1S/C8H7FN4O/c9-6-3-1-5(2-4-6)7(8(10)14)12-13-11/h1-4,7H,(H2,10,14)
• InChIKey: LXKXXGYSFCHZKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16547605
• PubChem SID: 164323550
• PubChem CID: 47003067

CALCULATED PROPERTIES

• Acid pKa: 14.395938
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.93789375
• LogD (pH = 7.4): 0.9378938
• Log P: 1.0519394
• Molar Refractivity: 47.0349 cm^3
• Polarizability: 17.269627 Å^3
• Polar Surface Area: 72.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 1.45

Product Information

• Purity: 95%