2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

C23H24ClN3O4 — CID 27136671

IUPAC2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESC=CCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C23H24ClN3O4/c1-3-13-26-20(22(29)27(23(26)30)18-9-5-16(24)6-10-18)15-21(28)25-17-7-11-19(12-8-17)31-14-4-2/h3,5-12,20H,1,4,13-15H2,2H3,(H,25,28)/t20-/m1/s1
InChIKeyZLPKHQUJWIBHIT-HXUWFJFHSA-N
MW441.92 g/mol
LogP4.48
Rot. Bonds9

About 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (PubChem CID 27136671) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
PubChem CID27136671
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESC=CCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C23H24ClN3O4/c1-3-13-26-20(22(29)27(23(26)30)18-9-5-16(24)6-10-18)15-21(28)25-17-7-11-19(12-8-17)31-14-4-2/h3,5-12,20H,1,4,13-15H2,2H3,(H,25,28)/t20-/m1/s1
InChIKeyZLPKHQUJWIBHIT-HXUWFJFHSA-N
XLogP4.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.48
H-Bond Donors ≤ 51
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-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7318099
2-[(4R)-1-(4-ethoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080629
2-[(4S)-1-(4-ethoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080627
N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 17118497
2-[(4R)-5-oxo-1-phenyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7613748
ethyl 4-[(4R)-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-3-prop-2-enyl-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 26519387
2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 7268939
N-(4-chlorophenyl)-2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 28874003
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 4874620
2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4030854
methyl 4-[[2-[(4R)-1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
CID 7326054
2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 45106613

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (CID 27136671) is 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is C=CCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1.
What is the InChIKey of 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The InChIKey is ZLPKHQUJWIBHIT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-3-13-26-20(22(29)27(23(26)30)18-9-5-16(24)6-10-18)15-21(28)25-17-7-11-19(12-8-17)31-14-4-2/h3,5-12,20H,1,4,13-15H2,2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide has a molecular weight of 441.92 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 27136671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).