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

C23H13Cl3F3N3O2 — CID 87619544

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

2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide (PubChem CID 87619544) has the molecular formula C23H13Cl3F3N3O2 and a molecular weight of 526.73 g/mol. Its IUPAC name is 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide
• PubChem CID: 87619544
• Molecular Formula: C23H13Cl3F3N3O2
• Molecular Weight: 526.73 g/mol
• Exact Mass: 525.00
• IUPAC Name: 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide
• SMILES: O=C(Nc1ccccn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12
• InChI: InChI=1S/C23H13Cl3F3N3O2/c24-13-6-7-17-15(9-13)19(20(33)22(34)31-18-3-1-2-8-30-18)21(23(27,28)29)32(17)11-12-4-5-14(25)10-16(12)26/h1-10H,11H2,(H,30,31,34)
• InChIKey: YGOOKJKJLGCWFG-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.73
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide?

The IUPAC name of 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide (CID 87619544) is 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide.

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

The canonical SMILES for 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide is O=C(Nc1ccccn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12.

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

The InChIKey is YGOOKJKJLGCWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl3F3N3O2/c24-13-6-7-17-15(9-13)19(20(33)22(34)31-18-3-1-2-8-30-18)21(23(27,28)29)32(17)11-12-4-5-14(25)10-16(12)26/h1-10H,11H2,(H,30,31,34).

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

2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide has a molecular weight of 526.73 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-2-ylacetamide is sourced from PubChem (CID 87619544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).