N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide

C12H11N3O4 — CID 130441815

IUPACN-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1C=O)N1CC(=O)NC1=O
InChIInChI=1S/C12H11N3O4/c1-14(15-6-10(17)13-12(15)19)11(18)9-5-3-2-4-8(9)7-16/h2-5,7H,6H2,1H3,(H,13,17,19)
InChIKeyQGUNXZRMMXHLCP-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.04
Rot. Bonds3

About N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide

N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide (PubChem CID 130441815) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide
PubChem CID130441815
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1C=O)N1CC(=O)NC1=O
InChIInChI=1S/C12H11N3O4/c1-14(15-6-10(17)13-12(15)19)11(18)9-5-3-2-4-8(9)7-16/h2-5,7H,6H2,1H3,(H,13,17,19)
InChIKeyQGUNXZRMMXHLCP-UHFFFAOYSA-N
XLogP0.04
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
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2-formyl-N-heptyl-N-methylbenzamide
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2-formyl-N,N-dimethylbenzenecarboximidamide
CID 57076481
N-(4-aminocyclohexyl)sulfanyl-2-formyl-N-methylbenzamide;ethane
CID 142541818
[(2-formylbenzoyl)-methylamino] formate;oxane
CID 178114254
N'-(4-bromophenyl)-2-formyl-N-methylbenzohydrazide
CID 144653099
2-formylbenzoyl iodide
CID 88830490
2-formylbenzoic acid;methoxymethane
CID 90858085
ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 171641510

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide?
The IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide (CID 130441815) is N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide.
What is the SMILES notation for N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide?
The canonical SMILES for N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide is CN(C(=O)c1ccccc1C=O)N1CC(=O)NC1=O.
What is the InChIKey of N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide?
The InChIKey is QGUNXZRMMXHLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-14(15-6-10(17)13-12(15)19)11(18)9-5-3-2-4-8(9)7-16/h2-5,7H,6H2,1H3,(H,13,17,19).
What are the key properties of N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide?
N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide has a molecular weight of 261.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide is sourced from PubChem (CID 130441815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).