N-(2-fluorophenyl)-2-[2-(hydrazinecarbonyl)phenoxy]acetamide

• ChemBase ID: 230596
• Molecular Formular: C15H14FN3O3
• Molecular Mass: 303.2883632
• Monoisotopic Mass: 303.10191954
• SMILES: c1(C(=O)NN)c(OCC(=O)Nc2c(F)cccc2)cccc1
• Canonical SMILES: NNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F
• InChI: InChI=1S/C15H14FN3O3/c16-11-6-2-3-7-12(11)18-14(20)9-22-13-8-4-1-5-10(13)15(21)19-17/h1-8H,9,17H2,(H,18,20)(H,19,21)
• InChIKey: HQERNKMYWQEQAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-2-[2-(hydrazinecarbonyl)phenoxy]acetamide
• IUPAC Traditional name: N-(2-fluorophenyl)-2-[2-(hydrazinecarbonyl)phenoxy]acetamide
• Synonyms: N-(2-Fluoro-phenyl)-2-(2-hydrazinocarbonyl-phenoxy)-acetamide

Database IDs

• MDL Number: MFCD03965275
• PubChem SID: 164286506
• PubChem CID: 2386058

CALCULATED PROPERTIES

• Acid pKa: 11.210435
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.4239582
• LogD (pH = 7.4): 1.4246527
• Log P: 1.4247262
• Molar Refractivity: 80.662 cm^3
• Polarizability: 29.467346 Å^3
• Polar Surface Area: 93.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.779

Product Information

• Purity: 95%