5-tert-butyl-4-(chloromethyl)furan-2-carboxamide

• ChemBase ID: 312591
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: c1(oc(cc1CCl)C(=O)N)C(C)(C)C
• Canonical SMILES: ClCc1cc(oc1C(C)(C)C)C(=O)N
• InChI: InChI=1S/C10H14ClNO2/c1-10(2,3)8-6(5-11)4-7(14-8)9(12)13/h4H,5H2,1-3H3,(H2,12,13)
• InChIKey: YFESPYPTUDIGBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-tert-butyl-4-(chloromethyl)furan-2-carboxamide
• IUPAC Traditional name: 5-tert-butyl-4-(chloromethyl)furan-2-carboxamide
• Synonyms: 5-tert-butyl-4-(chloromethyl)-2-furamide

Database IDs

• CAS Number: 634171-67-8
• MDL Number: MFCD03765260

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9364322
• LogD (pH = 7.4): 1.9364324
• Log P: 1.9364322
• Molar Refractivity: 55.9376 cm^3
• Polarizability: 21.04197 Å^3
• Polar Surface Area: 56.23 Å^2