2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

C14H14Cl3N3O3 — CID 18225476

IUPAC2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(C)C1NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H14Cl3N3O3/c1-6(2)11-13(22)20(14(23)19-11)5-10(21)18-12-8(16)3-7(15)4-9(12)17/h3-4,6,11H,5H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyLPTZFUIIVDREQF-UHFFFAOYSA-N
MW378.64 g/mol
LogP3.16
Rot. Bonds4

About 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 18225476) has the molecular formula C14H14Cl3N3O3 and a molecular weight of 378.64 g/mol. Its IUPAC name is 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID18225476
Molecular FormulaC14H14Cl3N3O3
Molecular Weight378.64 g/mol
Exact Mass377.01
IUPAC Name2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(C)C1NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H14Cl3N3O3/c1-6(2)11-13(22)20(14(23)19-11)5-10(21)18-12-8(16)3-7(15)4-9(12)17/h3-4,6,11H,5H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyLPTZFUIIVDREQF-UHFFFAOYSA-N
XLogP3.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097275
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 55435726
N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097274
N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097267
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 18143143
N-(4-bromo-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
CID 25363542
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 41089956
3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
CID 24582125
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 16568359

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 18225476) is 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is CC(C)C1NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is LPTZFUIIVDREQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N3O3/c1-6(2)11-13(22)20(14(23)19-11)5-10(21)18-12-8(16)3-7(15)4-9(12)17/h3-4,6,11H,5H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 378.64 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 18225476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).