N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C12H12BrN3O3 — CID 8014767

IUPACN-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O
InChIInChI=1S/C12H12BrN3O3/c1-15-7-11(18)16(12(15)19)6-10(17)14-9-4-2-3-8(13)5-9/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyOFORXNSJRUULAD-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.28
Rot. Bonds3

About N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 8014767) has the molecular formula C12H12BrN3O3 and a molecular weight of 326.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID8014767
Molecular FormulaC12H12BrN3O3
Molecular Weight326.15 g/mol
Exact Mass325.01
IUPAC NameN-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O
InChIInChI=1S/C12H12BrN3O3/c1-15-7-11(18)16(12(15)19)6-10(17)14-9-4-2-3-8(13)5-9/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyOFORXNSJRUULAD-UHFFFAOYSA-N
XLogP1.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001
N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2430343
2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 9201030
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 112779006
N-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9188385
N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 60697679
N-(3-bromophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241341
N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8871207
N-(3-bromophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 115614106
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
CID 9072319

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 8014767) is N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)Nc2cccc(Br)c2)C1=O.
What is the InChIKey of N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is OFORXNSJRUULAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3/c1-15-7-11(18)16(12(15)19)6-10(17)14-9-4-2-3-8(13)5-9/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 326.15 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8014767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).