2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

C16H20FN3O3 — CID 5034100

IUPAC2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FN3O3/c1-3-9-18-13(21)10-20-14(22)16(4-2,19-15(20)23)11-5-7-12(17)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyWVDMBIHAUIMFJD-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.51
Rot. Bonds6

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

2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 5034100) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
PubChem CID5034100
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FN3O3/c1-3-9-18-13(21)10-20-14(22)16(4-2,19-15(20)23)11-5-7-12(17)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyWVDMBIHAUIMFJD-UHFFFAOYSA-N
XLogP1.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenytoin
CID 1775
Ethotoin
CID 3292
Mephenytoin
CID 4060
Nirvanol
CID 91480
(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 640021
Mephenytoin, (+)-
CID 107921
Phenylhydantoin
CID 1002
5-Phenyl-5-propylimidazolidine-2,4-dione
CID 219572
(+)-Nirvanol
CID 6540813
5-Methyl-5-phenylhydantoin
CID 93043
Doxenitoin
CID 18622
Methetoin
CID 21908

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 5034100) is 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The InChIKey is WVDMBIHAUIMFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-3-9-18-13(21)10-20-14(22)16(4-2,19-15(20)23)11-5-7-12(17)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 321.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 5034100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).