N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide

C13H13BrN4O4 — CID 99800382

IUPACN-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C(=O)NN1CC(=O)NC1=O
InChIInChI=1S/C13H13BrN4O4/c1-6-3-8(14)4-7(2)10(6)16-11(20)12(21)17-18-5-9(19)15-13(18)22/h3-4H,5H2,1-2H3,(H,16,20)(H,17,21)(H,15,19,22)
InChIKeyNZUXAHIUUFPDOI-UHFFFAOYSA-N
MW369.18 g/mol
LogP0.59
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide

N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide (PubChem CID 99800382) has the molecular formula C13H13BrN4O4 and a molecular weight of 369.18 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide
PubChem CID99800382
Molecular FormulaC13H13BrN4O4
Molecular Weight369.18 g/mol
Exact Mass368.01
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C(=O)NN1CC(=O)NC1=O
InChIInChI=1S/C13H13BrN4O4/c1-6-3-8(14)4-7(2)10(6)16-11(20)12(21)17-18-5-9(19)15-13(18)22/h3-4H,5H2,1-2H3,(H,16,20)(H,17,21)(H,15,19,22)
InChIKeyNZUXAHIUUFPDOI-UHFFFAOYSA-N
XLogP0.59
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 43163865
N-(4-bromo-2,6-dimethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 25249643
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(4-bromo-2,6-dimethylphenyl)azepane-1-carboxamide
CID 47223457
N-(2,4-dioxoimidazolidin-1-yl)cyclopropanecarboxamide
CID 126992882
1-(4-bromo-2,6-dimethylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 47375852
N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
CID 880666
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide
CID 32905464
N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
N-(4-bromo-2,6-dimethylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 80599432
N-(4-bromo-2,6-dimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 60793250
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide (CID 99800382) is N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide is Cc1cc(Br)cc(C)c1NC(=O)C(=O)NN1CC(=O)NC1=O.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide?
The InChIKey is NZUXAHIUUFPDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O4/c1-6-3-8(14)4-7(2)10(6)16-11(20)12(21)17-18-5-9(19)15-13(18)22/h3-4H,5H2,1-2H3,(H,16,20)(H,17,21)(H,15,19,22).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide?
N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide has a molecular weight of 369.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide is sourced from PubChem (CID 99800382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).