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

C38H39ClN2O4 — CID 126269600

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

2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-phenylacetamide (PubChem CID 126269600) has the molecular formula C38H39ClN2O4 and a molecular weight of 623.19 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-chlorophenoxy]-N-phenylacetamide.

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-chlorophenoxy]-N-phenylacetamide
• PubChem CID: 126269600
• Molecular Formula: C38H39ClN2O4
• Molecular Weight: 623.19 g/mol
• Exact Mass: 622.26
• IUPAC Name: 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-phenylacetamide
• SMILES: CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCC(=O)Nc1ccccc1
• InChI: InChI=1S/C38H39ClN2O4/c1-37(2)18-28-35(30(42)20-37)34(27-17-25(39)15-16-32(27)45-23-33(44)40-26-13-9-6-10-14-26)36-29(19-38(3,4)21-31(36)43)41(28)22-24-11-7-5-8-12-24/h5-17,34H,18-23H2,1-4H3,(H,40,44)
• InChIKey: JENBRFFLFCIBGD-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.19
LogP ≤ 5	8.24
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-chlorophenoxy]-N-phenylacetamide?

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-chlorophenoxy]-N-phenylacetamide (CID 126269600) is 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-phenylacetamide.

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-chlorophenoxy]-N-phenylacetamide?

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-chlorophenoxy]-N-phenylacetamide is CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCC(=O)Nc1ccccc1.

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-chlorophenoxy]-N-phenylacetamide?

The InChIKey is JENBRFFLFCIBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39ClN2O4/c1-37(2)18-28-35(30(42)20-37)34(27-17-25(39)15-16-32(27)45-23-33(44)40-26-13-9-6-10-14-26)36-29(19-38(3,4)21-31(36)43)41(28)22-24-11-7-5-8-12-24/h5-17,34H,18-23H2,1-4H3,(H,40,44).

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-chlorophenoxy]-N-phenylacetamide?

2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-phenylacetamide has a molecular weight of 623.19 g/mol, XLogP of 8.24, 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-chlorophenoxy]-N-phenylacetamide is sourced from PubChem (CID 126269600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).