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

C24H17Cl2F3N4O3 — CID 68911625

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

2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide (PubChem CID 68911625) has the molecular formula C24H17Cl2F3N4O3 and a molecular weight of 537.33 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide
• PubChem CID: 68911625
• Molecular Formula: C24H17Cl2F3N4O3
• Molecular Weight: 537.33 g/mol
• Exact Mass: 536.06
• IUPAC Name: 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide
• SMILES: CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ncccn1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H17Cl2F3N4O3/c1-2-36-15-6-7-18-16(11-15)19(20(34)22(35)32-23-30-8-3-9-31-23)21(24(27,28)29)33(18)12-13-4-5-14(25)10-17(13)26/h3-11H,2,12H2,1H3,(H,30,31,32,35)
• InChIKey: DLNQQWCZDDSXEF-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.33
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide?

The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide (CID 68911625) is 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide.

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

The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide is CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ncccn1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl.

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

The InChIKey is DLNQQWCZDDSXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N4O3/c1-2-36-15-6-7-18-16(11-15)19(20(34)22(35)32-23-30-8-3-9-31-23)21(24(27,28)29)33(18)12-13-4-5-14(25)10-17(13)26/h3-11H,2,12H2,1H3,(H,30,31,32,35).

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

2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide has a molecular weight of 537.33 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 68911625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).