N-cyclopropyl-3,5-difluoro-4-hydrazinylbenzamide

• ChemBase ID: 239199
• Molecular Formular: C10H11F2N3O
• Molecular Mass: 227.2106464
• Monoisotopic Mass: 227.08701843
• SMILES: c1(c(cc(C(=O)NC2CC2)cc1F)F)NN
• Canonical SMILES: NNc1c(F)cc(cc1F)C(=O)NC1CC1
• InChI: InChI=1S/C10H11F2N3O/c11-7-3-5(4-8(12)9(7)15-13)10(16)14-6-1-2-6/h3-4,6,15H,1-2,13H2,(H,14,16)
• InChIKey: LLZQEKCAHAAOJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3,5-difluoro-4-hydrazinylbenzamide
• IUPAC Traditional name: N-cyclopropyl-3,5-difluoro-4-hydrazinylbenzamide
• Synonyms: N-cyclopropyl-3,5-difluoro-4-hydrazinylbenzamide

Database IDs

• MDL Number: MFCD18285494
• PubChem SID: 164295109
• PubChem CID: 63186905

CALCULATED PROPERTIES

• Acid pKa: 12.221612
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.1434354
• LogD (pH = 7.4): 1.1741302
• Log P: 1.1901731
• Molar Refractivity: 57.3838 cm^3
• Polarizability: 20.03044 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 1.424

Product Information

• Purity: 95%