N-(4-aminophenyl)-2-(4-chlorophenoxy)propanamide

• ChemBase ID: 23119
• Molecular Formular: C15H15ClN2O2
• Molecular Mass: 290.7448
• Monoisotopic Mass: 290.08220541
• SMILES: C(=O)(Nc1ccc(N)cc1)C(Oc1ccc(Cl)cc1)C
• Canonical SMILES: Nc1ccc(cc1)NC(=O)C(Oc1ccc(cc1)Cl)C
• InChI: InChI=1S/C15H15ClN2O2/c1-10(20-14-8-2-11(16)3-9-14)15(19)18-13-6-4-12(17)5-7-13/h2-10H,17H2,1H3,(H,18,19)
• InChIKey: NUWRRHVCAWKLTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-(4-chlorophenoxy)propanamide
• IUPAC Traditional name: N-(4-aminophenyl)-2-(4-chlorophenoxy)propanamide
• Synonyms: N-(4-Aminophenyl)-2-(4-chlorophenoxy)propanamide

Database IDs

• MDL Number: MFCD09733065
• PubChem SID: 160986426
• PubChem CID: 16786315

CALCULATED PROPERTIES

• Acid pKa: 13.339774
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0626757
• LogD (pH = 7.4): 3.071627
• Log P: 3.0717428
• Molar Refractivity: 80.8822 cm^3
• Polarizability: 30.323315 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false