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

C17H11BrF2N2O3 — CID 58424173

IUPAC6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CC(c3cccc(F)c3F)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C17H11BrF2N2O3/c18-8-4-5-12-10(6-8)17(15(23)21-16(24)22-17)7-13(25-12)9-2-1-3-11(19)14(9)20/h1-6,13H,7H2,(H2,21,22,23,24)
InChIKeyHOVPTCVHPIMYJP-UHFFFAOYSA-N
MW409.19 g/mol
LogP3.29
Rot. Bonds1

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

6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 58424173) has the molecular formula C17H11BrF2N2O3 and a molecular weight of 409.19 g/mol. Its IUPAC name is 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID58424173
Molecular FormulaC17H11BrF2N2O3
Molecular Weight409.19 g/mol
Exact Mass407.99
IUPAC Name6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CC(c3cccc(F)c3F)Oc3ccc(Br)cc32)N1
InChIInChI=1S/C17H11BrF2N2O3/c18-8-4-5-12-10(6-8)17(15(23)21-16(24)22-17)7-13(25-12)9-2-1-3-11(19)14(9)20/h1-6,13H,7H2,(H2,21,22,23,24)
InChIKeyHOVPTCVHPIMYJP-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.19
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 58424173) is 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CC(c3cccc(F)c3F)Oc3ccc(Br)cc32)N1.
What is the InChIKey of 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is HOVPTCVHPIMYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N2O3/c18-8-4-5-12-10(6-8)17(15(23)21-16(24)22-17)7-13(25-12)9-2-1-3-11(19)14(9)20/h1-6,13H,7H2,(H2,21,22,23,24).
What are the key properties of 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 409.19 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,3-difluorophenyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 58424173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).