2-amino-N-[4-(difluoromethoxy)phenyl]benzamide

• ChemBase ID: 234272
• Molecular Formular: C14H12F2N2O2
• Molecular Mass: 278.2540864
• Monoisotopic Mass: 278.08668407
• SMILES: C(=O)(c1c(N)cccc1)Nc1ccc(OC(F)F)cc1
• Canonical SMILES: FC(Oc1ccc(cc1)NC(=O)c1ccccc1N)F
• InChI: InChI=1S/C14H12F2N2O2/c15-14(16)20-10-7-5-9(6-8-10)18-13(19)11-3-1-2-4-12(11)17/h1-8,14H,17H2,(H,18,19)
• InChIKey: RNXAJKYJIXQVKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[4-(difluoromethoxy)phenyl]benzamide
• IUPAC Traditional name: 2-amino-N-[4-(difluoromethoxy)phenyl]benzamide
• Synonyms: 2-amino-N-[4-(difluoromethoxy)phenyl]benzamide

Database IDs

• MDL Number: MFCD05267642
• PubChem SID: 164290182
• PubChem CID: 2097905

CALCULATED PROPERTIES

• Acid pKa: 12.006985
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.655062
• LogD (pH = 7.4): 3.6552784
• Log P: 3.6552916
• Molar Refractivity: 72.764 cm^3
• Polarizability: 26.080112 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.864

Product Information

• Purity: 95%