2-[4-bromo-2-(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

C35H41BrN2O4 — CID 126278652

About 2-[4-bromo-2-(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-[4-bromo-2-(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 126278652) has the molecular formula C35H41BrN2O4 and a molecular weight of 633.63 g/mol. Its IUPAC name is 2-[4-bromo-2-(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-[4-bromo-2-(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: 126278652
• Molecular Formula: C35H41BrN2O4
• Molecular Weight: 633.63 g/mol
• Exact Mass: 632.22
• IUPAC Name: 2-[4-bromo-2-(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)ccc2OCC(=O)Nc2cc(C)ccc2C)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C35H41BrN2O4/c1-8-38-25-15-34(4,5)17-27(39)32(25)31(33-26(38)16-35(6,7)18-28(33)40)23-14-22(36)11-12-29(23)42-19-30(41)37-24-13-20(2)9-10-21(24)3/h9-14,31H,8,15-19H2,1-7H3,(H,37,41)
• InChIKey: ZFFCBPKYWDDVIO-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.63
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(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-[4-bromo-2-(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 126278652) is 2-[4-bromo-2-(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-[4-bromo-2-(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-[4-bromo-2-(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)ccc2OCC(=O)Nc2cc(C)ccc2C)C2=C1CC(C)(C)CC2=O.

What is the InChIKey of 2-[4-bromo-2-(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 ZFFCBPKYWDDVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41BrN2O4/c1-8-38-25-15-34(4,5)17-27(39)32(25)31(33-26(38)16-35(6,7)18-28(33)40)23-14-22(36)11-12-29(23)42-19-30(41)37-24-13-20(2)9-10-21(24)3/h9-14,31H,8,15-19H2,1-7H3,(H,37,41).

What are the key properties of 2-[4-bromo-2-(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-[4-bromo-2-(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 633.63 g/mol, XLogP of 7.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bromo-2-(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 126278652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).