N-(4-chloro-2-phenoxyphenyl)-N-{[2-(propan-2-yloxy)phenyl]methyl}acetamide

• ChemBase ID: 126849
• Molecular Formular: C24H24ClNO3
• Molecular Mass: 409.90526
• Monoisotopic Mass: 409.14447131
• SMILES: CC(C)Oc1ccccc1CN(C(=O)C)c1ccc(Cl)cc1Oc1ccccc1
• Canonical SMILES: CC(Oc1ccccc1CN(c1ccc(cc1Oc1ccccc1)Cl)C(=O)C)C
• InChI: InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
• InChIKey: CGUBOFYHGYNUDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-2-phenoxyphenyl)-N-{[2-(propan-2-yloxy)phenyl]methyl}acetamide
• IUPAC Traditional name: N-(4-chloro-2-phenoxyphenyl)-N-[(2-isopropoxyphenyl)methyl]acetamide
• Synonyms: DAA-1097

Database IDs

• CAS Number: 220551-79-1
• PubChem SID: 162221176
• PubChem CID: 9844410
• Chemspider ID: 8020125
• Wikipedia Title: DAA-1097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.519539
• LogD (pH = 7.4): 5.519539
• Log P: 5.519539
• Molar Refractivity: 115.3257 cm^3
• Polarizability: 45.031006 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false