2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

C16H16Cl2N4O4 — CID 4804693

IUPAC2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H16Cl2N4O4/c1-3-6-19-14(25)20-12(23)8-22-13(24)16(2,21-15(22)26)10-5-4-9(17)7-11(10)18/h3-5,7H,1,6,8H2,2H3,(H,21,26)(H2,19,20,23,25)
InChIKeyUWINPYQMMLMSPX-UHFFFAOYSA-N
MW399.23 g/mol
LogP1.77
Rot. Bonds5

About 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 4804693) has the molecular formula C16H16Cl2N4O4 and a molecular weight of 399.23 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID4804693
Molecular FormulaC16H16Cl2N4O4
Molecular Weight399.23 g/mol
Exact Mass398.05
IUPAC Name2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C16H16Cl2N4O4/c1-3-6-19-14(25)20-12(23)8-22-13(24)16(2,21-15(22)26)10-5-4-9(17)7-11(10)18/h3-5,7H,1,6,8H2,2H3,(H,21,26)(H2,19,20,23,25)
InChIKeyUWINPYQMMLMSPX-UHFFFAOYSA-N
XLogP1.77
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 5138739
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 40857194
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 46641518
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2703067
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702977
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide
CID 4804687
methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate
CID 8570913
N-(benzylcarbamoyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702151

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (CID 4804693) is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is UWINPYQMMLMSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O4/c1-3-6-19-14(25)20-12(23)8-22-13(24)16(2,21-15(22)26)10-5-4-9(17)7-11(10)18/h3-5,7H,1,6,8H2,2H3,(H,21,26)(H2,19,20,23,25).
What are the key properties of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 399.23 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 4804693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).