2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

C24H19Cl2N3O3 — CID 68905533

About 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 68905533) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
• PubChem CID: 68905533
• Molecular Formula: C24H19Cl2N3O3
• Molecular Weight: 468.34 g/mol
• Exact Mass: 467.08
• IUPAC Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
• SMILES: CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(Cl)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C24H19Cl2N3O3/c1-2-32-18-7-8-20-19(13-18)21(22(30)24(31)28-17-9-11-27-12-10-17)23(26)29(20)14-15-3-5-16(25)6-4-15/h3-13H,2,14H2,1H3,(H,27,28,31)
• InChIKey: NXPCHWCNULHKSZ-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.34
LogP ≤ 5	5.61
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-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?

The IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 68905533) is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

What is the SMILES notation for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?

The canonical SMILES for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(Cl)n2Cc1ccc(Cl)cc1.

What is the InChIKey of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?

The InChIKey is NXPCHWCNULHKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c1-2-32-18-7-8-20-19(13-18)21(22(30)24(31)28-17-9-11-27-12-10-17)23(26)29(20)14-15-3-5-16(25)6-4-15/h3-13H,2,14H2,1H3,(H,27,28,31).

What are the key properties of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 468.34 g/mol, XLogP of 5.61, 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-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 68905533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).