3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide

C13H13Cl2N3O3 — CID 45039590

IUPAC3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide
SMILES[2H]c1c(Cl)c([2H])c(N2C(=O)CN(C(=O)NC(C)C)C2=O)c([2H])c1Cl
InChIInChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)/i3D,4D,5D
InChIKeyONUFESLQCSAYKA-QGZYMEECSA-N
MW333.19 g/mol
LogP2.88
Rot. Bonds2

About 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide

3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide (PubChem CID 45039590) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 333.19 g/mol. Its IUPAC name is 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide
PubChem CID45039590
Molecular FormulaC13H13Cl2N3O3
Molecular Weight333.19 g/mol
Exact Mass332.05
IUPAC Name3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide
SMILES[2H]c1c(Cl)c([2H])c(N2C(=O)CN(C(=O)NC(C)C)C2=O)c([2H])c1Cl
InChIInChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)/i3D,4D,5D
InChIKeyONUFESLQCSAYKA-QGZYMEECSA-N
XLogP2.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide?
The IUPAC name of 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide (CID 45039590) is 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide.
What is the SMILES notation for 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide?
The canonical SMILES for 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide is [2H]c1c(Cl)c([2H])c(N2C(=O)CN(C(=O)NC(C)C)C2=O)c([2H])c1Cl.
What is the InChIKey of 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide?
The InChIKey is ONUFESLQCSAYKA-QGZYMEECSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)/i3D,4D,5D.
What are the key properties of 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide?
3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide is sourced from PubChem (CID 45039590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).