5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione

C9H6ClFN2O2 — CID 12921728

IUPAC5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C9H6ClFN2O2/c10-5-3-4(1-2-6(5)11)7-8(14)13-9(15)12-7/h1-3,7H,(H2,12,13,14,15)
InChIKeyLVXFIXABAVOGBY-UHFFFAOYSA-N
MW228.61 g/mol
LogP1.36
Rot. Bonds1

About 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione

5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 12921728) has the molecular formula C9H6ClFN2O2 and a molecular weight of 228.61 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID12921728
Molecular FormulaC9H6ClFN2O2
Molecular Weight228.61 g/mol
Exact Mass228.01
IUPAC Name5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C9H6ClFN2O2/c10-5-3-4(1-2-6(5)11)7-8(14)13-9(15)12-7/h1-3,7H,(H2,12,13,14,15)
InChIKeyLVXFIXABAVOGBY-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione (CID 12921728) is 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2ccc(F)c(Cl)c2)N1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is LVXFIXABAVOGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2/c10-5-3-4(1-2-6(5)11)7-8(14)13-9(15)12-7/h1-3,7H,(H2,12,13,14,15).
What are the key properties of 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione?
5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 228.61 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 12921728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).