N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C18H16ClF3N4O4 — CID 60617831

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 60617831) has the molecular formula C18H16ClF3N4O4 and a molecular weight of 444.80 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 60617831
• Molecular Formula: C18H16ClF3N4O4
• Molecular Weight: 444.80 g/mol
• Exact Mass: 444.08
• IUPAC Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: Cc1cc(C2(C)NC(=O)N(CC(=O)Nc3ncc(C(F)(F)F)cc3Cl)C2=O)c(C)o1
• InChI: InChI=1S/C18H16ClF3N4O4/c1-8-4-11(9(2)30-8)17(3)15(28)26(16(29)25-17)7-13(27)24-14-12(19)5-10(6-23-14)18(20,21)22/h4-6H,7H2,1-3H3,(H,25,29)(H,23,24,27)
• InChIKey: DVPFQHPUQNRWLK-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.80
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 60617831) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1cc(C2(C)NC(=O)N(CC(=O)Nc3ncc(C(F)(F)F)cc3Cl)C2=O)c(C)o1.

What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is DVPFQHPUQNRWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O4/c1-8-4-11(9(2)30-8)17(3)15(28)26(16(29)25-17)7-13(27)24-14-12(19)5-10(6-23-14)18(20,21)22/h4-6H,7H2,1-3H3,(H,25,29)(H,23,24,27).

What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 444.80 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 60617831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).