4-chloro-N,2-dimethoxy-N-methylbenzamide

• ChemBase ID: 289167
• Molecular Formular: C10H12ClNO3
• Molecular Mass: 229.66018
• Monoisotopic Mass: 229.05057093
• SMILES: O=C(N(OC)C)c1ccc(Cl)cc1OC
• Canonical SMILES: CON(C(=O)c1ccc(cc1OC)Cl)C
• InChI: InChI=1S/C10H12ClNO3/c1-12(15-3)10(13)8-5-4-7(11)6-9(8)14-2/h4-6H,1-3H3
• InChIKey: FBQWJRHUICABKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,2-dimethoxy-N-methylbenzamide
• IUPAC Traditional name: 4-chloro-N,2-dimethoxy-N-methylbenzamide
• Synonyms: 4-Chloro-N,2-dimethoxy-N-methylbenzamide

Database IDs

• CAS Number: 205320-02-1
• PubChem SID: 180674698
• PubChem CID: 18931205

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8687146
• LogD (pH = 7.4): 1.8687146
• Log P: 1.8687146
• Molar Refractivity: 57.548 cm^3
• Polarizability: 22.003855 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%