N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

C15H17Cl2N3O3 — CID 8005826

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H17Cl2N3O3/c1-15(2)13(22)20(14(23)19-15)8-12(21)18-6-5-9-3-4-10(16)7-11(9)17/h3-4,7H,5-6,8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyQZNIOPJNKNLLLM-UHFFFAOYSA-N
MW358.23 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 8005826) has the molecular formula C15H17Cl2N3O3 and a molecular weight of 358.23 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID8005826
Molecular FormulaC15H17Cl2N3O3
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H17Cl2N3O3/c1-15(2)13(22)20(14(23)19-15)8-12(21)18-6-5-9-3-4-10(16)7-11(9)17/h3-4,7H,5-6,8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyQZNIOPJNKNLLLM-UHFFFAOYSA-N
XLogP1.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 51.98
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

N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2540696
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 6591160
N-(2,4-dichlorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266430
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4204330
N-[(2,4-dichlorophenyl)methyl]-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916685
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266305
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7993678
N-[2-(4-chlorophenyl)ethyl]-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916679
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702965

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 8005826) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(C)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is QZNIOPJNKNLLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3/c1-15(2)13(22)20(14(23)19-15)8-12(21)18-6-5-9-3-4-10(16)7-11(9)17/h3-4,7H,5-6,8H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 358.23 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8005826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).