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

C12H8BrFN2O4 — CID 61354780

IUPAC7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
SMILESO=C1NCC(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)O1
InChIInChI=1S/C12H8BrFN2O4/c13-8-2-5(14)1-7-9(8)16(11(18)10(7)17)4-6-3-15-12(19)20-6/h1-2,6H,3-4H2,(H,15,19)
InChIKeyDPFHCDMXESNUGF-UHFFFAOYSA-N
MW343.11 g/mol
LogP1.23
Rot. Bonds2

About 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione

7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione (PubChem CID 61354780) has the molecular formula C12H8BrFN2O4 and a molecular weight of 343.11 g/mol. Its IUPAC name is 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
PubChem CID61354780
Molecular FormulaC12H8BrFN2O4
Molecular Weight343.11 g/mol
Exact Mass341.97
IUPAC Name7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
SMILESO=C1NCC(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)O1
InChIInChI=1S/C12H8BrFN2O4/c13-8-2-5(14)1-7-9(8)16(11(18)10(7)17)4-6-3-15-12(19)20-6/h1-2,6H,3-4H2,(H,15,19)
InChIKeyDPFHCDMXESNUGF-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'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione (CID 61354780) is 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione is O=C1NCC(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)O1.
What is the InChIKey of 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The InChIKey is DPFHCDMXESNUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O4/c13-8-2-5(14)1-7-9(8)16(11(18)10(7)17)4-6-3-15-12(19)20-6/h1-2,6H,3-4H2,(H,15,19).
What are the key properties of 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
7-bromo-5-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 7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61354780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).