N'-(2-chloropropanoyl)-3-methylbenzohydrazide

• ChemBase ID: 253523
• Molecular Formular: C11H13ClN2O2
• Molecular Mass: 240.68612
• Monoisotopic Mass: 240.06655535
• SMILES: C(=O)(NNC(=O)c1cc(ccc1)C)C(Cl)C
• Canonical SMILES: O=C(C(Cl)C)NNC(=O)c1cccc(c1)C
• InChI: InChI=1S/C11H13ClN2O2/c1-7-4-3-5-9(6-7)11(16)14-13-10(15)8(2)12/h3-6,8H,1-2H3,(H,13,15)(H,14,16)
• InChIKey: ARPNEJQWSWQCJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloropropanoyl)-3-methylbenzohydrazide
• IUPAC Traditional name: N'-(2-chloropropanoyl)-3-methylbenzohydrazide
• Synonyms: N'-(2-chloropropanoyl)-3-methylbenzohydrazide

Database IDs

• MDL Number: MFCD09040561
• PubChem SID: 164309433
• PubChem CID: 16227872

CALCULATED PROPERTIES

• Acid pKa: 7.9762034
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8526833
• LogD (pH = 7.4): 1.7647066
• Log P: 1.8539662
• Molar Refractivity: 62.2906 cm^3
• Polarizability: 23.535763 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.952

Product Information

• Purity: 95%