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

C18H20FN3O4 — CID 2562831

IUPAC2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O4/c19-13-7-5-12(6-8-13)9-10-20-15(23)11-21-16(24)17(25)22(18(21)26)14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,20,23)
InChIKeySZWWVCOTQAAEFN-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.22
Rot. Bonds6

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

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2562831) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID2562831
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O4/c19-13-7-5-12(6-8-13)9-10-20-15(23)11-21-16(24)17(25)22(18(21)26)14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,20,23)
InChIKeySZWWVCOTQAAEFN-UHFFFAOYSA-N
XLogP1.22
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 2562831) is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is SZWWVCOTQAAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c19-13-7-5-12(6-8-13)9-10-20-15(23)11-21-16(24)17(25)22(18(21)26)14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,20,23).
What are the key properties of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 361.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2562831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).