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

C35H40Br2N2O4 — CID 126274385

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

2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 126274385) has the molecular formula C35H40Br2N2O4 and a molecular weight of 712.52 g/mol. Its IUPAC name is 2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
• PubChem CID: 126274385
• Molecular Formula: C35H40Br2N2O4
• Molecular Weight: 712.52 g/mol
• Exact Mass: 710.14
• IUPAC Name: 2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
• SMILES: CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C35H40Br2N2O4/c1-8-39-25-14-34(4,5)16-27(40)31(25)30(32-26(39)15-35(6,7)17-28(32)41)22-12-21(36)13-23(37)33(22)43-18-29(42)38-24-11-19(2)9-10-20(24)3/h9-13,30H,8,14-18H2,1-7H3,(H,38,42)
• InChIKey: ZTYMIOXVJAVYAH-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.52
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (CID 126274385) is 2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)cc(Br)c2OCC(=O)Nc2cc(C)ccc2C)C2=C1CC(C)(C)CC2=O.

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

The InChIKey is ZTYMIOXVJAVYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40Br2N2O4/c1-8-39-25-14-34(4,5)16-27(40)31(25)30(32-26(39)15-35(6,7)17-28(32)41)22-12-21(36)13-23(37)33(22)43-18-29(42)38-24-11-19(2)9-10-20(24)3/h9-13,30H,8,14-18H2,1-7H3,(H,38,42).

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

2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 712.52 g/mol, XLogP of 8.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 126274385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).