[2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C15H14FNO4 — CID 2642228

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccccc2F)c(C)o1
InChIInChI=1S/C15H14FNO4/c1-9-7-11(10(2)21-9)15(19)20-8-14(18)17-13-6-4-3-5-12(13)16/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyJXEKUPLJODCRGI-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.83
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2642228) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2642228
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2ccccc2F)c(C)o1
InChIInChI=1S/C15H14FNO4/c1-9-7-11(10(2)21-9)15(19)20-8-14(18)17-13-6-4-3-5-12(13)16/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyJXEKUPLJODCRGI-UHFFFAOYSA-N
XLogP2.83
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2642228) is [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2ccccc2F)c(C)o1.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is JXEKUPLJODCRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-9-7-11(10(2)21-9)15(19)20-8-14(18)17-13-6-4-3-5-12(13)16/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 291.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2642228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).