N-(4-chloro-2-methoxyphenyl)-2-[2-(hydrazinecarbonyl)phenoxy]acetamide

• ChemBase ID: 230583
• Molecular Formular: C16H16ClN3O4
• Molecular Mass: 349.76894
• Monoisotopic Mass: 349.08293369
• SMILES: c1(C(=O)NN)c(OCC(=O)Nc2c(cc(cc2)Cl)OC)cccc1
• Canonical SMILES: COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NN
• InChI: InChI=1S/C16H16ClN3O4/c1-23-14-8-10(17)6-7-12(14)19-15(21)9-24-13-5-3-2-4-11(13)16(22)20-18/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
• InChIKey: KEOLNUGJHWDYMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-2-methoxyphenyl)-2-[2-(hydrazinecarbonyl)phenoxy]acetamide
• IUPAC Traditional name: N-(4-chloro-2-methoxyphenyl)-2-[2-(hydrazinecarbonyl)phenoxy]acetamide
• Synonyms: N-(4-Chloro-2-methoxy-phenyl)-2-(2-hydrazinocarbonyl-phenoxy)-acetamide

Database IDs

• MDL Number: MFCD03653056
• PubChem SID: 164286493
• PubChem CID: 2375946

CALCULATED PROPERTIES

• Acid pKa: 11.593684
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.72763
• LogD (pH = 7.4): 1.7283616
• Log P: 1.7283977
• Molar Refractivity: 91.7136 cm^3
• Polarizability: 34.19848 Å^3
• Polar Surface Area: 102.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.375

Product Information

• Purity: 95%