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

C39H41ClN2O4 — CID 126272625

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

2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 126272625) has the molecular formula C39H41ClN2O4 and a molecular weight of 637.22 g/mol. Its IUPAC name is 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide
• PubChem CID: 126272625
• Molecular Formula: C39H41ClN2O4
• Molecular Weight: 637.22 g/mol
• Exact Mass: 636.28
• IUPAC Name: 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1
• InChI: InChI=1S/C39H41ClN2O4/c1-24-11-14-27(15-12-24)41-34(45)23-46-33-16-13-26(40)17-28(33)35-36-29(18-38(2,3)20-31(36)43)42(22-25-9-7-6-8-10-25)30-19-39(4,5)21-32(44)37(30)35/h6-17,35H,18-23H2,1-5H3,(H,41,45)
• InChIKey: WYUOXQKNBYZZDF-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.22
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide (CID 126272625) is 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide.

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

The canonical SMILES for 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1.

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

The InChIKey is WYUOXQKNBYZZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41ClN2O4/c1-24-11-14-27(15-12-24)41-34(45)23-46-33-16-13-26(40)17-28(33)35-36-29(18-38(2,3)20-31(36)43)42(22-25-9-7-6-8-10-25)30-19-39(4,5)21-32(44)37(30)35/h6-17,35H,18-23H2,1-5H3,(H,41,45).

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

2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 637.22 g/mol, XLogP of 8.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 126272625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).