N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C13H14BrN3O3 — CID 2430343

IUPACN-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)CN(C)C2=O)ccc1Br
InChIInChI=1S/C13H14BrN3O3/c1-8-5-9(3-4-10(8)14)15-11(18)6-17-12(19)7-16(2)13(17)20/h3-5H,6-7H2,1-2H3,(H,15,18)
InChIKeyJADLEOFCICIDLB-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.59
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 2430343) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID2430343
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)CN(C)C2=O)ccc1Br
InChIInChI=1S/C13H14BrN3O3/c1-8-5-9(3-4-10(8)14)15-11(18)6-17-12(19)7-16(2)13(17)20/h3-5H,6-7H2,1-2H3,(H,15,18)
InChIKeyJADLEOFCICIDLB-UHFFFAOYSA-N
XLogP1.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.59
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

N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014767
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N-(3,4-dimethylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18160401
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
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2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9188385
ethyl (2Z)-2-[3-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2695314
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-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9201016
N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
CID 110863119
N-(4-bromo-3-methylphenyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 20952863
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 2430343) is N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is Cc1cc(NC(=O)CN2C(=O)CN(C)C2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is JADLEOFCICIDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-8-5-9(3-4-10(8)14)15-11(18)6-17-12(19)7-16(2)13(17)20/h3-5H,6-7H2,1-2H3,(H,15,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 340.18 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2430343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).