N-(2-amino-5-chloro-4-methoxyphenyl)acetamide

• ChemBase ID: 61566
• Molecular Formular: C9H11ClN2O2
• Molecular Mass: 214.64884
• Monoisotopic Mass: 214.05090528
• SMILES: c1(cc(c(cc1N)OC)Cl)NC(=O)C
• Canonical SMILES: COc1cc(N)c(cc1Cl)NC(=O)C
• InChI: InChI=1S/C9H11ClN2O2/c1-5(13)12-8-3-6(10)9(14-2)4-7(8)11/h3-4H,11H2,1-2H3,(H,12,13)
• InChIKey: IGMIRDGDTCDZST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-5-chloro-4-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(2-amino-5-chloro-4-methoxyphenyl)acetamide
• Synonyms: N-(2-Amino-5-chloro-4-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD19686132
• PubChem SID: 162027307
• PubChem CID: 56773835

CALCULATED PROPERTIES

• Acid pKa: 14.292168
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.82814264
• LogD (pH = 7.4): 0.8284003
• Log P: 0.82840365
• Molar Refractivity: 56.8894 cm^3
• Polarizability: 20.799511 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152 °C; 150-152°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%