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

C45H31Cl5N6O5 — CID 87660617

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

2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide (PubChem CID 87660617) has the molecular formula C45H31Cl5N6O5 and a molecular weight of 913.05 g/mol. Its IUPAC name is 2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
• PubChem CID: 87660617
• Molecular Formula: C45H31Cl5N6O5
• Molecular Weight: 913.05 g/mol
• Exact Mass: 910.08
• IUPAC Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
• SMILES: COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccnc1)c(Cl)n2Cc1ccc(Cl)cc1Cl.O=C(Nc1cccnc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12
• InChI: InChI=1S/C23H16Cl3N3O3.C22H15Cl2N3O2/c1-32-16-6-7-19-17(10-16)20(21(30)23(31)28-15-3-2-8-27-11-15)22(26)29(19)12-13-4-5-14(24)9-18(13)25;23-15-9-7-14(8-10-15)13-27-18-6-2-1-5-17(18)19(21(27)24)20(28)22(29)26-16-4-3-11-25-12-16/h2-11H,12H2,1H3,(H,28,31);1-12H,13H2,(H,26,29)
• InChIKey: RWDWKZKKEUMMMS-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 137.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.05
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide?

The IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide (CID 87660617) is 2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide.

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

The canonical SMILES for 2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccnc1)c(Cl)n2Cc1ccc(Cl)cc1Cl.O=C(Nc1cccnc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12.

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

The InChIKey is RWDWKZKKEUMMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3N3O3.C22H15Cl2N3O2/c1-32-16-6-7-19-17(10-16)20(21(30)23(31)28-15-3-2-8-27-11-15)22(26)29(19)12-13-4-5-14(24)9-18(13)25;23-15-9-7-14(8-10-15)13-27-18-6-2-1-5-17(18)19(21(27)24)20(28)22(29)26-16-4-3-11-25-12-16/h2-11H,12H2,1H3,(H,28,31);1-12H,13H2,(H,26,29).

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

2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide has a molecular weight of 913.05 g/mol, XLogP of 11.09, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide is sourced from PubChem (CID 87660617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).