(4-acetylphenyl)urea

• ChemBase ID: 254378
• Molecular Formular: C9H10N2O2
• Molecular Mass: 178.1879
• Monoisotopic Mass: 178.07422757
• SMILES: C(=O)(Nc1ccc(C(=O)C)cc1)N
• Canonical SMILES: NC(=O)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C9H10N2O2/c1-6(12)7-2-4-8(5-3-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
• InChIKey: NOFYCZGGZKBMJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-acetylphenyl)urea
• IUPAC Traditional name: 4-acetylphenylurea
• Synonyms: N-(4-acetylphenyl)urea

Database IDs

• MDL Number: MFCD00031456
• PubChem SID: 164310288
• PubChem CID: 231367

CALCULATED PROPERTIES

• Acid pKa: 13.174833
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.43505815
• LogD (pH = 7.4): 0.4350575
• Log P: 0.43505818
• Molar Refractivity: 50.0005 cm^3
• Polarizability: 18.250776 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.835

Product Information

• Purity: 95%