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

C48H38Cl3N5O6 — CID 161243659

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

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide (PubChem CID 161243659) has the molecular formula C48H38Cl3N5O6 and a molecular weight of 887.22 g/mol. Its IUPAC name is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide
• PubChem CID: 161243659
• Molecular Formula: C48H38Cl3N5O6
• Molecular Weight: 887.22 g/mol
• Exact Mass: 885.19
• IUPAC Name: 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide
• SMILES: COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccccc1)c(C)n2Cc1ccc(Cl)cc1.COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(Cl)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C25H21ClN2O3.C23H17Cl2N3O3/c1-16-23(24(29)25(30)27-19-6-4-3-5-7-19)21-14-20(31-2)12-13-22(21)28(16)15-17-8-10-18(26)11-9-17;1-31-17-6-7-19-18(12-17)20(21(29)23(30)27-16-8-10-26-11-9-16)22(25)28(19)13-14-2-4-15(24)5-3-14/h3-14H,15H2,1-2H3,(H,27,30);2-12H,13H2,1H3,(H,26,27,30)
• InChIKey: VAIPCVAUZRJBPK-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 133.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.22
LogP ≤ 5	10.70
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]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide?

The IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide (CID 161243659) is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide.

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

The canonical SMILES for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccccc1)c(C)n2Cc1ccc(Cl)cc1.COc1ccc2c(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-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide?

The InChIKey is VAIPCVAUZRJBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3.C23H17Cl2N3O3/c1-16-23(24(29)25(30)27-19-6-4-3-5-7-19)21-14-20(31-2)12-13-22(21)28(16)15-17-8-10-18(26)11-9-17;1-31-17-6-7-19-18(12-17)20(21(29)23(30)27-16-8-10-26-11-9-16)22(25)28(19)13-14-2-4-15(24)5-3-14/h3-14H,15H2,1-2H3,(H,27,30);2-12H,13H2,1H3,(H,26,27,30).

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

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide has a molecular weight of 887.22 g/mol, XLogP of 10.70, 12 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]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 161243659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).