2-azido-N-phenylacetamide

• ChemBase ID: 242053
• Molecular Formular: C8H8N4O
• Molecular Mass: 176.17532
• Monoisotopic Mass: 176.0698109
• SMILES: [N+](=[N-])=NCC(=O)Nc1ccccc1
• Canonical SMILES: O=C(Nc1ccccc1)CN=[N+]=[N-]
• InChI: InChI=1S/C8H8N4O/c9-12-10-6-8(13)11-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)
• InChIKey: KMYXAURTWKXBMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azido-N-phenylacetamide
• IUPAC Traditional name: 2-azido-N-phenylacetamide
• Synonyms: 2-azido-N-phenylacetamide

Database IDs

• MDL Number: MFCD14652253
• PubChem SID: 164297963
• PubChem CID: 14201101

CALCULATED PROPERTIES

• Acid pKa: 12.993294
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1000069
• LogD (pH = 7.4): 1.1000059
• Log P: 1.2140526
• Molar Refractivity: 48.9157 cm^3
• Polarizability: 17.493 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.034

Product Information

• Purity: 95%