2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

C14H14Cl3N3O3 — CID 7916625

IUPAC2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H14Cl3N3O3/c1-3-14(2)12(22)20(13(23)19-14)6-11(21)18-10-5-8(16)7(15)4-9(10)17/h4-5H,3,6H2,1-2H3,(H,18,21)(H,19,23)/t14-/m1/s1
InChIKeyQIBHQKVBXCLSLL-CQSZACIVSA-N
MW378.64 g/mol
LogP3.31
Rot. Bonds4

About 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 7916625) has the molecular formula C14H14Cl3N3O3 and a molecular weight of 378.64 g/mol. Its IUPAC name is 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID7916625
Molecular FormulaC14H14Cl3N3O3
Molecular Weight378.64 g/mol
Exact Mass377.01
IUPAC Name2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H14Cl3N3O3/c1-3-14(2)12(22)20(13(23)19-14)6-11(21)18-10-5-8(16)7(15)4-9(10)17/h4-5H,3,6H2,1-2H3,(H,18,21)(H,19,23)/t14-/m1/s1
InChIKeyQIBHQKVBXCLSLL-CQSZACIVSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2117004
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916645
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 27109354
2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 60617768
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 104619685
N-[(2,4-dichlorophenyl)methyl]-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916685
2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
CID 7916609
N-(2,4-dichlorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266430
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 7824204
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43540466

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 7916625) is 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is QIBHQKVBXCLSLL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14Cl3N3O3/c1-3-14(2)12(22)20(13(23)19-14)6-11(21)18-10-5-8(16)7(15)4-9(10)17/h4-5H,3,6H2,1-2H3,(H,18,21)(H,19,23)/t14-/m1/s1.
What are the key properties of 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 378.64 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 7916625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).