N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C18H18FN3O4 — CID 24520123

IUPACN-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)NC(C)(c2ccco2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O4/c1-3-21(13-8-6-12(19)7-9-13)15(23)11-22-16(24)18(2,20-17(22)25)14-5-4-10-26-14/h4-10H,3,11H2,1-2H3,(H,20,25)
InChIKeyORKKOHSQLQEZMD-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.24
Rot. Bonds5

About N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 24520123) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID24520123
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)NC(C)(c2ccco2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O4/c1-3-21(13-8-6-12(19)7-9-13)15(23)11-22-16(24)18(2,20-17(22)25)14-5-4-10-26-14/h4-10H,3,11H2,1-2H3,(H,20,25)
InChIKeyORKKOHSQLQEZMD-UHFFFAOYSA-N
XLogP2.24
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 24520123) is N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(C(=O)CN1C(=O)NC(C)(c2ccco2)C1=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ORKKOHSQLQEZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-3-21(13-8-6-12(19)7-9-13)15(23)11-22-16(24)18(2,20-17(22)25)14-5-4-10-26-14/h4-10H,3,11H2,1-2H3,(H,20,25).
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 359.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 24520123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).