2-chloro-N-(1H-indazol-3-yl)benzamide

• ChemBase ID: 237448
• Molecular Formular: C14H10ClN3O
• Molecular Mass: 271.7017
• Monoisotopic Mass: 271.05123964
• SMILES: c1(n[nH]c2c1cccc2)NC(=O)c1c(Cl)cccc1
• Canonical SMILES: O=C(c1ccccc1Cl)Nc1n[nH]c2c1cccc2
• InChI: InChI=1S/C14H10ClN3O/c15-11-7-3-1-5-9(11)14(19)16-13-10-6-2-4-8-12(10)17-18-13/h1-8H,(H2,16,17,18,19)
• InChIKey: MUXMPTBDRVLGMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(1H-indazol-3-yl)benzamide
• IUPAC Traditional name: 2-chloro-N-(1H-indazol-3-yl)benzamide
• Synonyms: 2-chloro-N-(1H-indazol-3-yl)benzamide

Database IDs

• MDL Number: MFCD17294512
• PubChem SID: 164293358
• PubChem CID: 44129900

CALCULATED PROPERTIES

• Acid pKa: 9.979903
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5866787
• LogD (pH = 7.4): 3.5856104
• Log P: 3.5866947
• Molar Refractivity: 76.7249 cm^3
• Polarizability: 29.129766 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): 2.869

Product Information

• Purity: 95%