2-(3-chloro-4-hydroxyphenyl)-2-[(3-fluoro-5-methylphenyl)amino]acetamide

• ChemBase ID: 245547
• Molecular Formular: C15H14ClFN2O2
• Molecular Mass: 308.7352632
• Monoisotopic Mass: 308.0727836
• SMILES: C(c1cc(c(cc1)O)Cl)(C(=O)N)Nc1cc(cc(c1)C)F
• Canonical SMILES: Cc1cc(cc(c1)F)NC(c1ccc(c(c1)Cl)O)C(=O)N
• InChI: InChI=1S/C15H14ClFN2O2/c1-8-4-10(17)7-11(5-8)19-14(15(18)21)9-2-3-13(20)12(16)6-9/h2-7,14,19-20H,1H3,(H2,18,21)
• InChIKey: YMYWWIIUBDWKGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chloro-4-hydroxyphenyl)-2-[(3-fluoro-5-methylphenyl)amino]acetamide
• IUPAC Traditional name: 2-(3-chloro-4-hydroxyphenyl)-2-[(3-fluoro-5-methylphenyl)amino]acetamide
• Synonyms: 2-(3-chloro-4-hydroxyphenyl)-2-[(3-fluoro-5-methylphenyl)amino]acetamide

Database IDs

• MDL Number: MFCD23144089
• PubChem SID: 164301457
• PubChem CID: 71683222

CALCULATED PROPERTIES

• Acid pKa: 7.915352
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.0084426
• LogD (pH = 7.4): 2.8953197
• Log P: 3.0100968
• Molar Refractivity: 80.5598 cm^3
• Polarizability: 29.926592 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.494

Product Information

• Purity: 95%