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

C14H13BrF3N3O3 — CID 3995575

IUPAC2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(c2ccccc2Br)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C14H13BrF3N3O3/c1-13(8-4-2-3-5-9(8)15)11(23)21(12(24)20-13)6-10(22)19-7-14(16,17)18/h2-5H,6-7H2,1H3,(H,19,22)(H,20,24)
InChIKeyAFJRRKNKALPYNY-UHFFFAOYSA-N
MW408.17 g/mol
LogP1.89
Rot. Bonds4

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

2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 3995575) has the molecular formula C14H13BrF3N3O3 and a molecular weight of 408.17 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID3995575
Molecular FormulaC14H13BrF3N3O3
Molecular Weight408.17 g/mol
Exact Mass407.01
IUPAC Name2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(c2ccccc2Br)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C14H13BrF3N3O3/c1-13(8-4-2-3-5-9(8)15)11(23)21(12(24)20-13)6-10(22)19-7-14(16,17)18/h2-5H,6-7H2,1H3,(H,19,22)(H,20,24)
InChIKeyAFJRRKNKALPYNY-UHFFFAOYSA-N
XLogP1.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.17
LogP ≤ 51.89
H-Bond Donors ≤ 52
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 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 3995575) is 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC1(c2ccccc2Br)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AFJRRKNKALPYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3O3/c1-13(8-4-2-3-5-9(8)15)11(23)21(12(24)20-13)6-10(22)19-7-14(16,17)18/h2-5H,6-7H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 408.17 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 3995575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).