N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C17H22BrN3O3 — CID 4217075

IUPACN-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(C)(CC(C)C)C2=O)c(Br)c1
InChIInChI=1S/C17H22BrN3O3/c1-10(2)8-17(4)15(23)21(16(24)20-17)9-14(22)19-13-6-5-11(3)7-12(13)18/h5-7,10H,8-9H2,1-4H3,(H,19,22)(H,20,24)
InChIKeyOZROKLFCUCPIDG-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.05
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4217075) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4217075
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(C)(CC(C)C)C2=O)c(Br)c1
InChIInChI=1S/C17H22BrN3O3/c1-10(2)8-17(4)15(23)21(16(24)20-17)9-14(22)19-13-6-5-11(3)7-12(13)18/h5-7,10H,8-9H2,1-4H3,(H,19,22)(H,20,24)
InChIKeyOZROKLFCUCPIDG-UHFFFAOYSA-N
XLogP3.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.05
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-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4217075) is N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)NC(C)(CC(C)C)C2=O)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OZROKLFCUCPIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-10(2)8-17(4)15(23)21(16(24)20-17)9-14(22)19-13-6-5-11(3)7-12(13)18/h5-7,10H,8-9H2,1-4H3,(H,19,22)(H,20,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 396.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4217075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).