N-(naphthalen-1-yl)acetamide

• ChemBase ID: 139083
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: CC(=O)Nc1cccc2c1cccc2
• Canonical SMILES: CC(=O)Nc1cccc2c1cccc2
• InChI: InChI=1S/C12H11NO/c1-9(14)13-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,13,14)
• InChIKey: OKQIEBVRUGLWOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-1-yl)acetamide
• IUPAC Traditional name: N-(naphthalen-1-yl)acetamide
• Synonyms: 1-Acetamidonaphthalene; N-1-Naphthalenyl-acetamide; 1-(Acetylamino)naphthalene; N-(1-Naphthalenyl)acetamide; N-α-Naphthylacetamide; NSC 3105; 1-Acetamidonaphthalene; 1-萘基乙酰胺

Database IDs

• CAS Number: 575-36-0
• MDL Number: MFCD00059128
• PubChem SID: 24850120; 162233333
• PubChem CID: 68461

CALCULATED PROPERTIES

• Acid pKa: 13.615662
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.200433
• LogD (pH = 7.4): 2.2004328
• Log P: 2.200433
• Molar Refractivity: 57.3712 cm^3
• Polarizability: 22.780565 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: White Solid

Product Information

• Empirical Formula (Hill Notation): C12H11NO

DETAILS

Toronto Research Chemicals - A158455

Protected Naphthylamine.

REFERENCES

• Barbay, J., et al.: Bioorg. Med. Chem. Lett.,18, 2544 (2008)
• Konda, S., et al.: J. Chem. Pharm. Res., 2, 187 (2008)