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

C13H14BrN3O3 — CID 158464291

IUPAC2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(NC(=O)Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H14BrN3O3/c1-13(2)11(19)17(12(20)15-13)16-10(18)7-8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyHFOHBUMDFOGOQT-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.35
Rot. Bonds3

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

2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 158464291) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID158464291
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(NC(=O)Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H14BrN3O3/c1-13(2)11(19)17(12(20)15-13)16-10(18)7-8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyHFOHBUMDFOGOQT-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9292446
8-[2-(4-bromophenyl)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494059
3-[(4-bromoanilino)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1421774
N-(2,4-dibromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2558770
4-[2-(4-bromophenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074596
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 31435242
2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 17459336
N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8879472

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 158464291) is 2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(C)NC(=O)N(NC(=O)Cc2ccc(Br)cc2)C1=O.
What is the InChIKey of 2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is HFOHBUMDFOGOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-13(2)11(19)17(12(20)15-13)16-10(18)7-8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,15,20)(H,16,18).
What are the key properties of 2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 340.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 158464291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).