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

C20H17ClFN3O3 — CID 2980959

IUPACN-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFN3O3/c1-2-11-24-17(12-18(26)23-15-7-3-13(21)4-8-15)19(27)25(20(24)28)16-9-5-14(22)6-10-16/h2-10,17H,1,11-12H2,(H,23,26)
InChIKeyDLEBNXDKJMMQTA-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.83
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide (PubChem CID 2980959) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
PubChem CID2980959
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC NameN-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFN3O3/c1-2-11-24-17(12-18(26)23-15-7-3-13(21)4-8-15)19(27)25(20(24)28)16-9-5-14(22)6-10-16/h2-10,17H,1,11-12H2,(H,23,26)
InChIKeyDLEBNXDKJMMQTA-UHFFFAOYSA-N
XLogP3.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-Imidazolidinedione, 3-(4-chlorophenyl)-
CID 723871
4-Imidazolidineacetic acid, 1-(4-chlorophenyl)-2,5-dioxo-
CID 655649
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 2839645
3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2839911
1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2926635
3-[4-(2-Chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 3109123
{3-(4-Chloro-phenyl)-5-[(4-fluoro-phenylcarbamoyl)-methyl]-4-oxo-2-thioxo-imidazolidin-1-yl}-acetic acid methyl ester
CID 3732105
US10676431, Example 21
CID 139454944
N-(4-chlorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 2195940
US11008301, Example 83
CID 156193305
US11008301, Example 81
CID 156193321

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide (CID 2980959) is N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide is C=CCN1C(=O)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The InChIKey is DLEBNXDKJMMQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c1-2-11-24-17(12-18(26)23-15-7-3-13(21)4-8-15)19(27)25(20(24)28)16-9-5-14(22)6-10-16/h2-10,17H,1,11-12H2,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide has a molecular weight of 401.83 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide is sourced from PubChem (CID 2980959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).