6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C17H12BrFN2O3 — CID 58423871

IUPAC6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CC(c3ccc(F)cc3)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C17H12BrFN2O3/c18-10-3-6-13-12(7-10)17(15(22)20-16(23)21-17)8-14(24-13)9-1-4-11(19)5-2-9/h1-7,14H,8H2,(H2,20,21,22,23)
InChIKeyOYGKHYDZFZSZIA-UHFFFAOYSA-N
MW391.20 g/mol
LogP3.15
Rot. Bonds1

About 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 58423871) has the molecular formula C17H12BrFN2O3 and a molecular weight of 391.20 g/mol. Its IUPAC name is 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID58423871
Molecular FormulaC17H12BrFN2O3
Molecular Weight391.20 g/mol
Exact Mass390.00
IUPAC Name6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CC(c3ccc(F)cc3)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C17H12BrFN2O3/c18-10-3-6-13-12(7-10)17(15(22)20-16(23)21-17)8-14(24-13)9-1-4-11(19)5-2-9/h1-7,14H,8H2,(H2,20,21,22,23)
InChIKeyOYGKHYDZFZSZIA-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 53.15
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 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 58423871) is 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CC(c3ccc(F)cc3)Oc3ccc(Br)cc32)N1.
What is the InChIKey of 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is OYGKHYDZFZSZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O3/c18-10-3-6-13-12(7-10)17(15(22)20-16(23)21-17)8-14(24-13)9-1-4-11(19)5-2-9/h1-7,14H,8H2,(H2,20,21,22,23).
What are the key properties of 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 391.20 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-fluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 58423871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).