2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

C25H20Cl2N2O4 — CID 68911820

About 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 68911820) has the molecular formula C25H20Cl2N2O4 and a molecular weight of 483.35 g/mol. Its IUPAC name is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
• PubChem CID: 68911820
• Molecular Formula: C25H20Cl2N2O4
• Molecular Weight: 483.35 g/mol
• Exact Mass: 482.08
• IUPAC Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
• SMILES: COc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3)c3ccc(OC)cc23)cc1
• InChI: InChI=1S/C25H20Cl2N2O4/c1-32-18-9-7-17(8-10-18)28-25(31)23(30)22-20-13-19(33-2)11-12-21(20)29(24(22)27)14-15-3-5-16(26)6-4-15/h3-13H,14H2,1-2H3,(H,28,31)
• InChIKey: QQQZFTFHAWHXRY-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.35
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?

The IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (CID 68911820) is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.

What is the SMILES notation for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?

The canonical SMILES for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3)c3ccc(OC)cc23)cc1.

What is the InChIKey of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?

The InChIKey is QQQZFTFHAWHXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O4/c1-32-18-9-7-17(8-10-18)28-25(31)23(30)22-20-13-19(33-2)11-12-21(20)29(24(22)27)14-15-3-5-16(26)6-4-15/h3-13H,14H2,1-2H3,(H,28,31).

What are the key properties of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 483.35 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 68911820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).