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

C17H14BrClN4O3 — CID 24819931

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

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 24819931) has the molecular formula C17H14BrClN4O3 and a molecular weight of 437.68 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
• PubChem CID: 24819931
• Molecular Formula: C17H14BrClN4O3
• Molecular Weight: 437.68 g/mol
• Exact Mass: 435.99
• IUPAC Name: 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
• SMILES: CC1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O
• InChI: InChI=1S/C17H14BrClN4O3/c1-17(10-4-2-5-11(18)8-10)15(25)23(16(26)22-17)9-13(24)21-12-6-3-7-20-14(12)19/h2-8H,9H2,1H3,(H,21,24)(H,22,26)
• InChIKey: WTOHZUGCYVUDBQ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.68
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide (CID 24819931) is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide.

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

The canonical SMILES for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide is CC1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O.

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

The InChIKey is WTOHZUGCYVUDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN4O3/c1-17(10-4-2-5-11(18)8-10)15(25)23(16(26)22-17)9-13(24)21-12-6-3-7-20-14(12)19/h2-8H,9H2,1H3,(H,21,24)(H,22,26).

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

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 437.68 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 24819931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).