5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione

C12H8BrFN2O4 — CID 61359885

IUPAC5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
SMILESO=C1NCC(CN2C(=O)C(=O)c3cc(Br)c(F)cc32)O1
InChIInChI=1S/C12H8BrFN2O4/c13-7-1-6-9(2-8(7)14)16(11(18)10(6)17)4-5-3-15-12(19)20-5/h1-2,5H,3-4H2,(H,15,19)
InChIKeyUQCGEXGOBPGUOV-UHFFFAOYSA-N
MW343.11 g/mol
LogP1.23
Rot. Bonds2

About 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione

5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione (PubChem CID 61359885) has the molecular formula C12H8BrFN2O4 and a molecular weight of 343.11 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
PubChem CID61359885
Molecular FormulaC12H8BrFN2O4
Molecular Weight343.11 g/mol
Exact Mass341.97
IUPAC Name5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
SMILESO=C1NCC(CN2C(=O)C(=O)c3cc(Br)c(F)cc32)O1
InChIInChI=1S/C12H8BrFN2O4/c13-7-1-6-9(2-8(7)14)16(11(18)10(6)17)4-5-3-15-12(19)20-5/h1-2,5H,3-4H2,(H,15,19)
InChIKeyUQCGEXGOBPGUOV-UHFFFAOYSA-N
XLogP1.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione with MolForge

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Related Compounds

6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
CID 43210249
7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
CID 61354780
5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175166
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-fluoroindole-2,3-dione
CID 79563139
5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione
CID 61358912
5-bromo-6-fluoro-1-hexylindole-2,3-dione
CID 61357354
5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione
CID 61359886
5-bromo-6-fluoro-1-(3-methylsulfanylpropyl)indole-2,3-dione
CID 113473738
5-bromo-6-fluoro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61359301
5-bromo-1-(4-chlorobut-2-enyl)-6-fluoroindole-2,3-dione
CID 77051204
5-bromo-1-(3-bromo-2,2-dimethylpropyl)-6-fluoroindole-2,3-dione
CID 64995372
5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione
CID 64996249

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione (CID 61359885) is 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione is O=C1NCC(CN2C(=O)C(=O)c3cc(Br)c(F)cc32)O1.
What is the InChIKey of 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The InChIKey is UQCGEXGOBPGUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O4/c13-7-1-6-9(2-8(7)14)16(11(18)10(6)17)4-5-3-15-12(19)20-5/h1-2,5H,3-4H2,(H,15,19).
What are the key properties of 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione has a molecular weight of 343.11 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61359885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).