2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide

C24H16Cl2F3N3O3 — CID 68907605

About 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide

2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide (PubChem CID 68907605) has the molecular formula C24H16Cl2F3N3O3 and a molecular weight of 522.31 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide
• PubChem CID: 68907605
• Molecular Formula: C24H16Cl2F3N3O3
• Molecular Weight: 522.31 g/mol
• Exact Mass: 521.05
• IUPAC Name: 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide
• SMILES: Cc1cc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(O)cc23)ccn1
• InChI: InChI=1S/C24H16Cl2F3N3O3/c1-12-8-15(6-7-30-12)31-23(35)21(34)20-17-10-16(33)4-5-19(17)32(22(20)24(27,28)29)11-13-2-3-14(25)9-18(13)26/h2-10,33H,11H2,1H3,(H,30,31,35)
• InChIKey: WTGVAUQBBKFVRW-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.31
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	2
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-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide?

The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide (CID 68907605) is 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide.

What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide?

The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(O)cc23)ccn1.

What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide?

The InChIKey is WTGVAUQBBKFVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N3O3/c1-12-8-15(6-7-30-12)31-23(35)21(34)20-17-10-16(33)4-5-19(17)32(22(20)24(27,28)29)11-13-2-3-14(25)9-18(13)26/h2-10,33H,11H2,1H3,(H,30,31,35).

What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide?

2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide has a molecular weight of 522.31 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-N-(2-methyl-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 68907605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).