N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C22H24FN3O4 — CID 3236775

IUPACN-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1ccc(OC)cc1
InChIInChI=1S/C22H24FN3O4/c1-3-24-20(27)14-19-21(28)26(17-8-6-16(23)7-9-17)22(29)25(19)13-12-15-4-10-18(30-2)11-5-15/h4-11,19H,3,12-14H2,1-2H3,(H,24,27)
InChIKeyXMSQMZXYZWYUEI-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.74
Rot. Bonds8

About N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 3236775) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID3236775
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC NameN-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1ccc(OC)cc1
InChIInChI=1S/C22H24FN3O4/c1-3-24-20(27)14-19-21(28)26(17-8-6-16(23)7-9-17)22(29)25(19)13-12-15-4-10-18(30-2)11-5-15/h4-11,19H,3,12-14H2,1-2H3,(H,24,27)
InChIKeyXMSQMZXYZWYUEI-UHFFFAOYSA-N
XLogP2.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.74
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-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 3236775) is N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is XMSQMZXYZWYUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-3-24-20(27)14-19-21(28)26(17-8-6-16(23)7-9-17)22(29)25(19)13-12-15-4-10-18(30-2)11-5-15/h4-11,19H,3,12-14H2,1-2H3,(H,24,27).
What are the key properties of N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 413.45 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 3236775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).