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

C17H20FN3O3 — CID 4779536

IUPAC2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O3/c1-10(11-3-7-13(18)8-4-11)19-14(22)9-21-15(23)17(2,12-5-6-12)20-16(21)24/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyMJLWFWWEYJPAOB-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.72
Rot. Bonds5

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

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 4779536) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID4779536
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O3/c1-10(11-3-7-13(18)8-4-11)19-14(22)9-21-15(23)17(2,12-5-6-12)20-16(21)24/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyMJLWFWWEYJPAOB-UHFFFAOYSA-N
XLogP1.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 4779536) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is MJLWFWWEYJPAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-10(11-3-7-13(18)8-4-11)19-14(22)9-21-15(23)17(2,12-5-6-12)20-16(21)24/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 4779536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).