2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide

C40H42Cl2N2O4 — CID 126277147

About 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide

2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 126277147) has the molecular formula C40H42Cl2N2O4 and a molecular weight of 685.69 g/mol. Its IUPAC name is 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide
• PubChem CID: 126277147
• Molecular Formula: C40H42Cl2N2O4
• Molecular Weight: 685.69 g/mol
• Exact Mass: 684.25
• IUPAC Name: 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)COc2c(Cl)cc(C3C4=C(CC(C)(C)CC4=O)N(Cc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2Cl)c(C)c1
• InChI: InChI=1S/C40H42Cl2N2O4/c1-23-12-13-29(24(2)14-23)43-34(47)22-48-38-27(41)15-26(16-28(38)42)35-36-30(17-39(3,4)19-32(36)45)44(21-25-10-8-7-9-11-25)31-18-40(5,6)20-33(46)37(31)35/h7-16,35H,17-22H2,1-6H3,(H,43,47)
• InChIKey: JBURHNHZFPRBRM-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.69
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide?

The IUPAC name of 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide (CID 126277147) is 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide.

What is the SMILES notation for 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide?

The canonical SMILES for 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2c(Cl)cc(C3C4=C(CC(C)(C)CC4=O)N(Cc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2Cl)c(C)c1.

What is the InChIKey of 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide?

The InChIKey is JBURHNHZFPRBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42Cl2N2O4/c1-23-12-13-29(24(2)14-23)43-34(47)22-48-38-27(41)15-26(16-28(38)42)35-36-30(17-39(3,4)19-32(36)45)44(21-25-10-8-7-9-11-25)31-18-40(5,6)20-33(46)37(31)35/h7-16,35H,17-22H2,1-6H3,(H,43,47).

What are the key properties of 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide?

2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 685.69 g/mol, XLogP of 9.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2,6-dichlorophenoxy]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126277147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).