3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione

C21H21ClN2O4 — CID 42898066

IUPAC3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CCOc2ccccc2C(C)=O)C1=O
InChIInChI=1S/C21H21ClN2O4/c1-3-21(15-8-10-16(22)11-9-15)19(26)24(20(27)23-21)12-13-28-18-7-5-4-6-17(18)14(2)25/h4-11H,3,12-13H2,1-2H3,(H,23,27)
InChIKeyVFGLMNYMBIRIKY-UHFFFAOYSA-N
MW400.86 g/mol
LogP3.78
Rot. Bonds7

About 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione

3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione (PubChem CID 42898066) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
PubChem CID42898066
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC Name3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CCOc2ccccc2C(C)=O)C1=O
InChIInChI=1S/C21H21ClN2O4/c1-3-21(15-8-10-16(22)11-9-15)19(26)24(20(27)23-21)12-13-28-18-7-5-4-6-17(18)14(2)25/h4-11H,3,12-13H2,1-2H3,(H,23,27)
InChIKeyVFGLMNYMBIRIKY-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
CID 18284754
5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24565947
4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148971
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 2703164
5-(4-chlorophenyl)-5-ethyl-3-(3-hydroxy-3-methylbutyl)imidazolidine-2,4-dione
CID 111825022
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
CID 18272138
3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 112774127
5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione
CID 973291
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione (CID 42898066) is 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione is CCC1(c2ccc(Cl)cc2)NC(=O)N(CCOc2ccccc2C(C)=O)C1=O.
What is the InChIKey of 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione?
The InChIKey is VFGLMNYMBIRIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c1-3-21(15-8-10-16(22)11-9-15)19(26)24(20(27)23-21)12-13-28-18-7-5-4-6-17(18)14(2)25/h4-11H,3,12-13H2,1-2H3,(H,23,27).
What are the key properties of 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione?
3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione has a molecular weight of 400.86 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 42898066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).