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

C33H36Cl2N2O4 — CID 126231686

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

2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 126231686) has the molecular formula C33H36Cl2N2O4 and a molecular weight of 595.57 g/mol. Its IUPAC name is 2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
• PubChem CID: 126231686
• Molecular Formula: C33H36Cl2N2O4
• Molecular Weight: 595.57 g/mol
• Exact Mass: 594.21
• IUPAC Name: 2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
• SMILES: CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C33H36Cl2N2O4/c1-6-37-23-14-32(2,3)16-25(38)30(23)29(31-24(37)15-33(4,5)17-26(31)39)19-7-12-27(22(35)13-19)41-18-28(40)36-21-10-8-20(34)9-11-21/h7-13,29H,6,14-18H2,1-5H3,(H,36,40)
• InChIKey: QEDFWITVFPTJGF-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.57
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide (CID 126231686) is 2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide.

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

The canonical SMILES for 2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide is CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O.

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

The InChIKey is QEDFWITVFPTJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36Cl2N2O4/c1-6-37-23-14-32(2,3)16-25(38)30(23)29(31-24(37)15-33(4,5)17-26(31)39)19-7-12-27(22(35)13-19)41-18-28(40)36-21-10-8-20(34)9-11-21/h7-13,29H,6,14-18H2,1-5H3,(H,36,40).

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

2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide has a molecular weight of 595.57 g/mol, XLogP of 7.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 126231686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).