2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

• ChemBase ID: 229384
• Molecular Formular: C17H11ClF2N2OS
• Molecular Mass: 364.7968464
• Monoisotopic Mass: 364.0248681
• SMILES: c1(nc(cs1)c1cc(c(cc1)F)F)NC(=O)C(c1ccccc1)Cl
• Canonical SMILES: O=C(C(c1ccccc1)Cl)Nc1scc(n1)c1ccc(c(c1)F)F
• InChI: InChI=1S/C17H11ClF2N2OS/c18-15(10-4-2-1-3-5-10)16(23)22-17-21-14(9-24-17)11-6-7-12(19)13(20)8-11/h1-9,15H,(H,21,22,23)
• InChIKey: BLZPMFMEVCHTRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
• Synonyms: 2-Chloro-N-[4-(3,4-difluoro-phenyl)-thiazol-2-yl]-2-phenyl-acetamide

Database IDs

• MDL Number: MFCD03965295
• PubChem SID: 164285294
• PubChem CID: 3813447

CALCULATED PROPERTIES

• Acid pKa: 10.507504
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.3462477
• LogD (pH = 7.4): 5.3459296
• Log P: 5.346252
• Molar Refractivity: 89.9108 cm^3
• Polarizability: 34.73888 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.074

Product Information

• Purity: 95%