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

C23H17Cl2N3O3 — CID 53308195

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

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide (PubChem CID 53308195) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
• PubChem CID: 53308195
• Molecular Formula: C23H17Cl2N3O3
• Molecular Weight: 454.31 g/mol
• Exact Mass: 453.06
• IUPAC Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
• SMILES: COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccnc1)c(Cl)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C23H17Cl2N3O3/c1-31-17-8-9-19-18(11-17)20(21(29)23(30)27-16-3-2-10-26-12-16)22(25)28(19)13-14-4-6-15(24)7-5-14/h2-12H,13H2,1H3,(H,27,30)
• InChIKey: WBSWSFHVTHUMRY-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.31
LogP ≤ 5	5.22
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]-2-oxo-N-pyridin-3-ylacetamide?

The IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide (CID 53308195) is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide.

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

The canonical SMILES for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccnc1)c(Cl)n2Cc1ccc(Cl)cc1.

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

The InChIKey is WBSWSFHVTHUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c1-31-17-8-9-19-18(11-17)20(21(29)23(30)27-16-3-2-10-26-12-16)22(25)28(19)13-14-4-6-15(24)7-5-14/h2-12H,13H2,1H3,(H,27,30).

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

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide has a molecular weight of 454.31 g/mol, XLogP of 5.22, 6 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]-2-oxo-N-pyridin-3-ylacetamide is sourced from PubChem (CID 53308195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).