4-[2-(2,5-dichlorophenyl)diazen-1-yl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

• ChemBase ID: 798201
• Molecular Formular: C24H17Cl2N3O3
• Molecular Mass: 466.31608
• Monoisotopic Mass: 465.06469678
• SMILES: c1cc2c(cc1)c(c(c(c2)C(=O)Nc1c(cccc1)OC)O)N=Nc1c(ccc(c1)Cl)Cl
• Canonical SMILES: COc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C24H17Cl2N3O3/c1-32-21-9-5-4-8-19(21)27-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)29-28-20-13-15(25)10-11-18(20)26/h2-13,30H,1H3,(H,27,31)
• InChIKey: IBVDQFFVBKPVPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,5-dichlorophenyl)diazen-1-yl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
• IUPAC Traditional name: 4-[2-(2,5-dichlorophenyl)diazen-1-yl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
• Synonyms: 4-((2,5-dichlorophenyl)azo)-3-hydroxy-n-(2-methoxyphenyl)-2-Naphthalenecarboxamide

Database IDs

• CAS Number: 6410-38-4

CALCULATED PROPERTIES

• Acid pKa: 10.341922
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 7.2073474
• LogD (pH = 7.4): 7.2068634
• Log P: 7.2073536
• Molar Refractivity: 130.4144 cm^3
• Polarizability: 48.562843 Å^3
• Polar Surface Area: 83.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%