N,N'-bis[4-(difluoromethoxy)phenyl]propanediamide

• ChemBase ID: 229151
• Molecular Formular: C17H14F4N2O4
• Molecular Mass: 386.2976728
• Monoisotopic Mass: 386.08896982
• SMILES: C(=O)(CC(=O)Nc1ccc(OC(F)F)cc1)Nc1ccc(OC(F)F)cc1
• Canonical SMILES: FC(Oc1ccc(cc1)NC(=O)CC(=O)Nc1ccc(cc1)OC(F)F)F
• InChI: InChI=1S/C17H14F4N2O4/c18-16(19)26-12-5-1-10(2-6-12)22-14(24)9-15(25)23-11-3-7-13(8-4-11)27-17(20)21/h1-8,16-17H,9H2,(H,22,24)(H,23,25)
• InChIKey: WVEQQAJGAYMMGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-bis[4-(difluoromethoxy)phenyl]propanediamide
• IUPAC Traditional name: N,N'-bis[4-(difluoromethoxy)phenyl]propanediamide
• Synonyms: N,N'-Bis-(4-difluoromethoxy-phenyl)-malonamide

Database IDs

• MDL Number: MFCD00680135
• PubChem SID: 164285061
• PubChem CID: 3111183

CALCULATED PROPERTIES

• Acid pKa: 13.486713
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.0756607
• LogD (pH = 7.4): 4.07566
• Log P: 4.0756607
• Molar Refractivity: 88.4866 cm^3
• Polarizability: 32.135883 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.108

Product Information

• Purity: 95%