N'-(2-chloroacetyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetohydrazide

• ChemBase ID: 84622
• Molecular Formular: C14H17ClN2O3
• Molecular Mass: 296.74938
• Monoisotopic Mass: 296.09277009
• SMILES: N(C(=O)COc1ccc(c2c1CCC2)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NNC(=O)COc1ccc(c2c1CCC2)C
• InChI: InChI=1S/C14H17ClN2O3/c1-9-5-6-12(11-4-2-3-10(9)11)20-8-14(19)17-16-13(18)7-15/h5-6H,2-4,7-8H2,1H3,(H,16,18)(H,17,19)
• InChIKey: RBQFLAIITXRZSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloroacetyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetohydrazide
• IUPAC Traditional name: N'-(2-chloroacetyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetohydrazide
• Synonyms: N'1-(2-chloroacetyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]ethanohydrazide

Database IDs

• MDL Number: MFCD00277929
• PubChem SID: 162071738
• PubChem CID: 2782293

CALCULATED PROPERTIES

• Acid pKa: 8.179876
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9548135
• LogD (pH = 7.4): 1.897041
• Log P: 1.9556166
• Molar Refractivity: 75.9695 cm^3
• Polarizability: 29.089193 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true