N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C12H11BrFN3O3 — CID 2114251

IUPACN-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O
InChIInChI=1S/C12H11BrFN3O3/c1-16-6-11(19)17(12(16)20)5-10(18)15-9-3-2-7(13)4-8(9)14/h2-4H,5-6H2,1H3,(H,15,18)
InChIKeyLWWXVUNCLPUZHZ-UHFFFAOYSA-N
MW344.14 g/mol
LogP1.42
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 2114251) has the molecular formula C12H11BrFN3O3 and a molecular weight of 344.14 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID2114251
Molecular FormulaC12H11BrFN3O3
Molecular Weight344.14 g/mol
Exact Mass343.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O
InChIInChI=1S/C12H11BrFN3O3/c1-16-6-11(19)17(12(16)20)5-10(18)15-9-3-2-7(13)4-8(9)14/h2-4H,5-6H2,1H3,(H,15,18)
InChIKeyLWWXVUNCLPUZHZ-UHFFFAOYSA-N
XLogP1.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 2114251) is N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is LWWXVUNCLPUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O3/c1-16-6-11(19)17(12(16)20)5-10(18)15-9-3-2-7(13)4-8(9)14/h2-4H,5-6H2,1H3,(H,15,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 344.14 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2114251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).