N-(6-bromonaphthalen-2-yl)-2-hydroxy-2-methylpropanamide

• ChemBase ID: 290509
• Molecular Formular: C14H14BrNO2
• Molecular Mass: 308.17046
• Monoisotopic Mass: 307.02079069
• SMILES: CC(C)(O)C(=O)Nc1ccc2cc(Br)ccc2c1
• Canonical SMILES: Brc1ccc2c(c1)ccc(c2)NC(=O)C(O)(C)C
• InChI: InChI=1S/C14H14BrNO2/c1-14(2,18)13(17)16-12-6-4-9-7-11(15)5-3-10(9)8-12/h3-8,18H,1-2H3,(H,16,17)
• InChIKey: IHFHVOHWTOEQHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-bromonaphthalen-2-yl)-2-hydroxy-2-methylpropanamide
• IUPAC Traditional name: N-(6-bromonaphthalen-2-yl)-2-hydroxy-2-methylpropanamide
• Synonyms: N-(6-Bromonaphthalen-2-yl)-2-hydroxy-2-methylpropanamide

Database IDs

• CAS Number: 1215206-72-6
• PubChem SID: 180676040
• PubChem CID: 53216854

CALCULATED PROPERTIES

• Acid pKa: 12.558574
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1534677
• LogD (pH = 7.4): 3.1534648
• Log P: 3.1534677
• Molar Refractivity: 75.9034 cm^3
• Polarizability: 29.704924 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%