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

C23H16Cl3N3O2 — CID 53307201

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

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide (PubChem CID 53307201) has the molecular formula C23H16Cl3N3O2 and a molecular weight of 472.76 g/mol. Its IUPAC name is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide
• PubChem CID: 53307201
• Molecular Formula: C23H16Cl3N3O2
• Molecular Weight: 472.76 g/mol
• Exact Mass: 471.03
• IUPAC Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide
• SMILES: Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(Cl)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C23H16Cl3N3O2/c1-13-2-7-18-17(10-13)20(21(30)23(31)28-16-8-9-27-19(25)11-16)22(26)29(18)12-14-3-5-15(24)6-4-14/h2-11H,12H2,1H3,(H,27,28,31)
• InChIKey: PERSLFHEPBHVQZ-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.76
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide (CID 53307201) is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide.

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

The canonical SMILES for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide is Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(Cl)n2Cc1ccc(Cl)cc1.

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

The InChIKey is PERSLFHEPBHVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3N3O2/c1-13-2-7-18-17(10-13)20(21(30)23(31)28-16-8-9-27-19(25)11-16)22(26)29(18)12-14-3-5-15(24)6-4-14/h2-11H,12H2,1H3,(H,27,28,31).

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

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide has a molecular weight of 472.76 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 53307201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).