1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione

C11H9FN2O3 — CID 22166031

IUPAC1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
SMILESCC(=O)N1CC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H9FN2O3/c1-7(15)13-6-10(16)14(11(13)17)9-5-3-2-4-8(9)12/h2-5H,6H2,1H3
InChIKeyRJIKFFKCGCZHOK-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.14
Rot. Bonds1

About 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione

1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 22166031) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
PubChem CID22166031
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
SMILESCC(=O)N1CC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H9FN2O3/c1-7(15)13-6-10(16)14(11(13)17)9-5-3-2-4-8(9)12/h2-5H,6H2,1H3
InChIKeyRJIKFFKCGCZHOK-UHFFFAOYSA-N
XLogP1.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
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 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione (CID 22166031) is 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione is CC(=O)N1CC(=O)N(c2ccccc2F)C1=O.
What is the InChIKey of 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is RJIKFFKCGCZHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-7(15)13-6-10(16)14(11(13)17)9-5-3-2-4-8(9)12/h2-5H,6H2,1H3.
What are the key properties of 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione?
1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 236.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-(2-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 22166031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).