6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

C19H16BrFN2O3 — CID 57466618

IUPAC6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCC1(Cc2ccc(F)cc2)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1
InChIInChI=1S/C19H16BrFN2O3/c1-18(9-11-2-5-13(21)6-3-11)10-19(16(24)22-17(25)23-19)14-8-12(20)4-7-15(14)26-18/h2-8H,9-10H2,1H3,(H2,22,23,24,25)
InChIKeyVVWQXLFIEQVJSA-UHFFFAOYSA-N
MW419.25 g/mol
LogP3.41
Rot. Bonds2

About 6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 57466618) has the molecular formula C19H16BrFN2O3 and a molecular weight of 419.25 g/mol. Its IUPAC name is 6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID57466618
Molecular FormulaC19H16BrFN2O3
Molecular Weight419.25 g/mol
Exact Mass418.03
IUPAC Name6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCC1(Cc2ccc(F)cc2)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1
InChIInChI=1S/C19H16BrFN2O3/c1-18(9-11-2-5-13(21)6-3-11)10-19(16(24)22-17(25)23-19)14-8-12(20)4-7-15(14)26-18/h2-8H,9-10H2,1H3,(H2,22,23,24,25)
InChIKeyVVWQXLFIEQVJSA-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.25
LogP ≤ 53.41
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)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (CID 57466618) is 6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is CC1(Cc2ccc(F)cc2)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is VVWQXLFIEQVJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O3/c1-18(9-11-2-5-13(21)6-3-11)10-19(16(24)22-17(25)23-19)14-8-12(20)4-7-15(14)26-18/h2-8H,9-10H2,1H3,(H2,22,23,24,25).
What are the key properties of 6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
6-bromo-2-[(4-fluorophenyl)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 419.25 g/mol, XLogP of 3.41, 2 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)methyl]-2-methylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 57466618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).