N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C21H20ClFN4O4 — CID 46606949

About N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 46606949) has the molecular formula C21H20ClFN4O4 and a molecular weight of 446.87 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• PubChem CID: 46606949
• Molecular Formula: C21H20ClFN4O4
• Molecular Weight: 446.87 g/mol
• Exact Mass: 446.12
• IUPAC Name: N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• SMILES: CC1C(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C(=O)N1c1ccc(F)cc1
• InChI: InChI=1S/C21H20ClFN4O4/c1-13-20(30)26(21(31)27(13)15-9-7-14(23)8-10-15)12-19(29)25(2)11-18(28)24-17-6-4-3-5-16(17)22/h3-10,13H,11-12H2,1-2H3,(H,24,28)
• InChIKey: XEUPEMAOODXNPD-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.87
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 46606949) is N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CC1C(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C(=O)N1c1ccc(F)cc1.

What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The InChIKey is XEUPEMAOODXNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O4/c1-13-20(30)26(21(31)27(13)15-9-7-14(23)8-10-15)12-19(29)25(2)11-18(28)24-17-6-4-3-5-16(17)22/h3-10,13H,11-12H2,1-2H3,(H,24,28).

What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 446.87 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chloroanilino)-2-oxoethyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 46606949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).