2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide

C20H19ClFN3O3 — CID 56518341

IUPAC2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3Cl)C2=O)c1
InChIInChI=1S/C20H19ClFN3O3/c1-3-12-5-4-6-14(9-12)23-17(26)11-25-18(27)20(2,24-19(25)28)15-8-7-13(22)10-16(15)21/h4-10H,3,11H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyOOQBKKBZWNRIBO-UHFFFAOYSA-N
MW403.84 g/mol
LogP3.45
Rot. Bonds5

About 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide

2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 56518341) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID56518341
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC Name2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3Cl)C2=O)c1
InChIInChI=1S/C20H19ClFN3O3/c1-3-12-5-4-6-14(9-12)23-17(26)11-25-18(27)20(2,24-19(25)28)15-8-7-13(22)10-16(15)21/h4-10H,3,11H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyOOQBKKBZWNRIBO-UHFFFAOYSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 53.45
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-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 4967480
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 2582941
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55435825
N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951293
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 56518590
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2702247
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
N-(3-chlorophenyl)-2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702241
N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951377
N-(3-ethylphenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46640090
2-[(4S)-4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylacetamide
CID 95148221
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 56519869

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide (CID 56518341) is 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3Cl)C2=O)c1.
What is the InChIKey of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is OOQBKKBZWNRIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-3-12-5-4-6-14(9-12)23-17(26)11-25-18(27)20(2,24-19(25)28)15-8-7-13(22)10-16(15)21/h4-10H,3,11H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide?
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 403.84 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 56518341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).