N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

C13H14BrN3O3 — CID 2229480

IUPACN-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H14BrN3O3/c1-13(2)11(19)17(12(20)16-13)7-10(18)15-9-5-3-8(14)4-6-9/h3-6H,7H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyDEQTXYOBBWGLMS-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.72
Rot. Bonds3

About N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 2229480) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID2229480
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC NameN-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H14BrN3O3/c1-13(2)11(19)17(12(20)16-13)7-10(18)15-9-5-3-8(14)4-6-9/h3-6H,7H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyDEQTXYOBBWGLMS-UHFFFAOYSA-N
XLogP1.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.72
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 N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 2229480) is N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(C)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is DEQTXYOBBWGLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-13(2)11(19)17(12(20)16-13)7-10(18)15-9-5-3-8(14)4-6-9/h3-6H,7H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 340.18 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2229480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).