3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

• ChemBase ID: 107117
• Molecular Formular: C18H15NO3
• Molecular Mass: 293.3166
• Monoisotopic Mass: 293.10519335
• SMILES: COc1ccccc1NC(=O)c1cc2c(cccc2)cc1O
• Canonical SMILES: COc1ccccc1NC(=O)c1cc2ccccc2cc1O
• InChI: InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)
• InChIKey: AQYMRQUYPFCXDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
• IUPAC Traditional name: 3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
• Synonyms: 2-HYDROXY-3-NAPHTHOYL-o-ANISIDIDE; 3-hydroxy-n-(2-methoxyphenyl)-2-Naphthalenecarboxamide

Database IDs

• CAS Number: 135-62-6
• PubChem SID: 162093230
• PubChem CID: 67274

CALCULATED PROPERTIES

• Acid pKa: 7.69645
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.5906382
• LogD (pH = 7.4): 3.4174466
• Log P: 3.5933707
• Molar Refractivity: 86.4858 cm^3
• Polarizability: 33.58379 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05202624

MP Biomedicals Rare Chemical collection