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

• ChemBase ID: 268372
• Molecular Formular: C11H11FN4O
• Molecular Mass: 234.2296432
• Monoisotopic Mass: 234.09168921
• SMILES: C(=O)(C(N=[N+]=[N-])c1ccc(cc1)F)NC1CC1
• Canonical SMILES: O=C(C(c1ccc(cc1)F)N=[N+]=[N-])NC1CC1
• InChI: InChI=1S/C11H11FN4O/c12-8-3-1-7(2-4-8)10(15-16-13)11(17)14-9-5-6-9/h1-4,9-10H,5-6H2,(H,14,17)
• InChIKey: MGRQVDRDRGXBRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16622100
• PubChem SID: 164324282
• PubChem CID: 47003300

CALCULATED PROPERTIES

• Acid pKa: 13.981503
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6271343
• LogD (pH = 7.4): 1.6271342
• Log P: 1.74118
• Molar Refractivity: 59.1428 cm^3
• Polarizability: 22.021582 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53 - 55°C
• Hydrophobicity(logP): 2.27

Product Information

• Purity: 95%