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

C12H8ClFN2O4 — CID 79336703

IUPAC5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
SMILESO=C1NCC(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)O1
InChIInChI=1S/C12H8ClFN2O4/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)
InChIKeyRFOLVFNSCHNUBB-UHFFFAOYSA-N
MW298.66 g/mol
LogP1.12
Rot. Bonds2

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

5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione (PubChem CID 79336703) has the molecular formula C12H8ClFN2O4 and a molecular weight of 298.66 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
PubChem CID79336703
Molecular FormulaC12H8ClFN2O4
Molecular Weight298.66 g/mol
Exact Mass298.02
IUPAC Name5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
SMILESO=C1NCC(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)O1
InChIInChI=1S/C12H8ClFN2O4/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)
InChIKeyRFOLVFNSCHNUBB-UHFFFAOYSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.66
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione (CID 79336703) is 5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione is O=C1NCC(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)O1.
What is the InChIKey of 5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The InChIKey is RFOLVFNSCHNUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4/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-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione has a molecular weight of 298.66 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79336703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).