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

C31H32Br2N2O4 — CID 126273193

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

2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 126273193) has the molecular formula C31H32Br2N2O4 and a molecular weight of 656.42 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
• PubChem CID: 126273193
• Molecular Formula: C31H32Br2N2O4
• Molecular Weight: 656.42 g/mol
• Exact Mass: 654.07
• IUPAC Name: 2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
• SMILES: CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)C2=C1CCCC2=O
• InChI: InChI=1S/C31H32Br2N2O4/c1-4-35-23-10-6-12-25(36)29(23)28(30-24(35)11-7-13-26(30)37)19-14-20(32)31(21(33)15-19)39-16-27(38)34-22-9-5-8-17(2)18(22)3/h5,8-9,14-15,28H,4,6-7,10-13,16H2,1-3H3,(H,34,38)
• InChIKey: RJWNMXRCELGWGX-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.42
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide (CID 126273193) is 2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide is CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)C2=C1CCCC2=O.

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

The InChIKey is RJWNMXRCELGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Br2N2O4/c1-4-35-23-10-6-12-25(36)29(23)28(30-24(35)11-7-13-26(30)37)19-14-20(32)31(21(33)15-19)39-16-27(38)34-22-9-5-8-17(2)18(22)3/h5,8-9,14-15,28H,4,6-7,10-13,16H2,1-3H3,(H,34,38).

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

2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 656.42 g/mol, XLogP of 7.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 126273193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).