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

C39H40Br2N2O4 — CID 126255055

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

2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 126255055) has the molecular formula C39H40Br2N2O4 and a molecular weight of 760.57 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)-4,6-dibromophenoxy]-N-(2-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)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide
• PubChem CID: 126255055
• Molecular Formula: C39H40Br2N2O4
• Molecular Weight: 760.57 g/mol
• Exact Mass: 758.14
• IUPAC Name: 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide
• SMILES: Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2
• InChI: InChI=1S/C39H40Br2N2O4/c1-23-11-9-10-14-28(23)42-33(46)22-47-37-26(15-25(40)16-27(37)41)34-35-29(17-38(2,3)19-31(35)44)43(21-24-12-7-6-8-13-24)30-18-39(4,5)20-32(45)36(30)34/h6-16,34H,17-22H2,1-5H3,(H,42,46)
• InChIKey: HPGQFHNGPZPTLZ-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.57
LogP ≤ 5	9.42
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)-4,6-dibromophenoxy]-N-(2-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)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide (CID 126255055) is 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4,6-dibromophenoxy]-N-(2-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)-4,6-dibromophenoxy]-N-(2-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)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2.

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)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide?

The InChIKey is HPGQFHNGPZPTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40Br2N2O4/c1-23-11-9-10-14-28(23)42-33(46)22-47-37-26(15-25(40)16-27(37)41)34-35-29(17-38(2,3)19-31(35)44)43(21-24-12-7-6-8-13-24)30-18-39(4,5)20-32(45)36(30)34/h6-16,34H,17-22H2,1-5H3,(H,42,46).

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)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide?

2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 760.57 g/mol, XLogP of 9.42, 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)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 126255055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).