3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide

C14H10BrFN2O3S — CID 60576303

IUPAC3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(N2CCOC2=O)ccc1F)c1sccc1Br
InChIInChI=1S/C14H10BrFN2O3S/c15-9-3-6-22-12(9)13(19)17-11-7-8(1-2-10(11)16)18-4-5-21-14(18)20/h1-3,6-7H,4-5H2,(H,17,19)
InChIKeyJVXLSTPKSRYYPE-UHFFFAOYSA-N
MW385.21 g/mol
LogP3.86
Rot. Bonds3

About 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide

3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 60576303) has the molecular formula C14H10BrFN2O3S and a molecular weight of 385.21 g/mol. Its IUPAC name is 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID60576303
Molecular FormulaC14H10BrFN2O3S
Molecular Weight385.21 g/mol
Exact Mass383.96
IUPAC Name3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(N2CCOC2=O)ccc1F)c1sccc1Br
InChIInChI=1S/C14H10BrFN2O3S/c15-9-3-6-22-12(9)13(19)17-11-7-8(1-2-10(11)16)18-4-5-21-14(18)20/h1-3,6-7H,4-5H2,(H,17,19)
InChIKeyJVXLSTPKSRYYPE-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide (CID 60576303) is 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(N2CCOC2=O)ccc1F)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is JVXLSTPKSRYYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3S/c15-9-3-6-22-12(9)13(19)17-11-7-8(1-2-10(11)16)18-4-5-21-14(18)20/h1-3,6-7H,4-5H2,(H,17,19).
What are the key properties of 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide?
3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 385.21 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60576303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).