2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide

C19H23BrFN3O5 — CID 152884170

About 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide

2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 152884170) has the molecular formula C19H23BrFN3O5 and a molecular weight of 472.31 g/mol. Its IUPAC name is 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 152884170
• Molecular Formula: C19H23BrFN3O5
• Molecular Weight: 472.31 g/mol
• Exact Mass: 471.08
• IUPAC Name: 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
• SMILES: CC(C)C1(CC(=O)NCCO)NC(=O)N(CC(=O)Cc2ccc(Br)cc2F)C1=O
• InChI: InChI=1S/C19H23BrFN3O5/c1-11(2)19(9-16(27)22-5-6-25)17(28)24(18(29)23-19)10-14(26)7-12-3-4-13(20)8-15(12)21/h3-4,8,11,25H,5-7,9-10H2,1-2H3,(H,22,27)(H,23,29)
• InChIKey: UCBIUVUZKFTZOW-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 115.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.31
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	3
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 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide?

The IUPAC name of 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide (CID 152884170) is 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide.

What is the SMILES notation for 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide?

The canonical SMILES for 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide is CC(C)C1(CC(=O)NCCO)NC(=O)N(CC(=O)Cc2ccc(Br)cc2F)C1=O.

What is the InChIKey of 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide?

The InChIKey is UCBIUVUZKFTZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrFN3O5/c1-11(2)19(9-16(27)22-5-6-25)17(28)24(18(29)23-19)10-14(26)7-12-3-4-13(20)8-15(12)21/h3-4,8,11,25H,5-7,9-10H2,1-2H3,(H,22,27)(H,23,29).

What are the key properties of 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide?

2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 472.31 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-(4-bromo-2-fluorophenyl)-2-oxopropyl]-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 152884170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).