4-(4-aminophenoxy)benzamide

• ChemBase ID: 263438
• Molecular Formular: C13H12N2O2
• Molecular Mass: 228.24658
• Monoisotopic Mass: 228.08987763
• SMILES: C(=O)(c1ccc(Oc2ccc(N)cc2)cc1)N
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C13H12N2O2/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,14H2,(H2,15,16)
• InChIKey: PGXRZMVBLFFQQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-aminophenoxy)benzamide
• IUPAC Traditional name: 4-(4-aminophenoxy)benzamide
• Synonyms: 4-(4-aminophenoxy)benzamide

Database IDs

• MDL Number: MFCD11133127
• PubChem SID: 164319348
• PubChem CID: 28401855

CALCULATED PROPERTIES

• Acid pKa: 14.485651
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4725544
• LogD (pH = 7.4): 1.4949541
• Log P: 1.4952474
• Molar Refractivity: 66.0776 cm^3
• Polarizability: 24.62348 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.526

Product Information

• Purity: 95%