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

C13H14FN3O3 — CID 3330348

IUPAC2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H14FN3O3/c1-16(2)10(18)7-17-12(19)11(15-13(17)20)8-3-5-9(14)6-4-8/h3-6,11H,7H2,1-2H3,(H,15,20)
InChIKeyAUORCMGKQSQYEX-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.51
Rot. Bonds3

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

2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide (PubChem CID 3330348) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
PubChem CID3330348
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)NC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H14FN3O3/c1-16(2)10(18)7-17-12(19)11(15-13(17)20)8-3-5-9(14)6-4-8/h3-6,11H,7H2,1-2H3,(H,15,20)
InChIKeyAUORCMGKQSQYEX-UHFFFAOYSA-N
XLogP0.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
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-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide (CID 3330348) is 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)NC(c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is AUORCMGKQSQYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-16(2)10(18)7-17-12(19)11(15-13(17)20)8-3-5-9(14)6-4-8/h3-6,11H,7H2,1-2H3,(H,15,20).
What are the key properties of 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide?
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 279.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 3330348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).