5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid

C13H12FNO3 — CID 55049896

IUPAC5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid
SMILESCCN(c1ccc(C(=O)O)o1)c1ccccc1F
InChIInChI=1S/C13H12FNO3/c1-2-15(10-6-4-3-5-9(10)14)12-8-7-11(18-12)13(16)17/h3-8H,2H2,1H3,(H,16,17)
InChIKeySADQQFIAIAPVFE-UHFFFAOYSA-N
MW249.24 g/mol
LogP3.27
Rot. Bonds4

About 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid

5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid (PubChem CID 55049896) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid
PubChem CID55049896
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid
SMILESCCN(c1ccc(C(=O)O)o1)c1ccccc1F
InChIInChI=1S/C13H12FNO3/c1-2-15(10-6-4-3-5-9(10)14)12-8-7-11(18-12)13(16)17/h3-8H,2H2,1H3,(H,16,17)
InChIKeySADQQFIAIAPVFE-UHFFFAOYSA-N
XLogP3.27
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid?
The IUPAC name of 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid (CID 55049896) is 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid?
The canonical SMILES for 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid is CCN(c1ccc(C(=O)O)o1)c1ccccc1F.
What is the InChIKey of 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid?
The InChIKey is SADQQFIAIAPVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-2-15(10-6-4-3-5-9(10)14)12-8-7-11(18-12)13(16)17/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid?
5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-2-fluoroanilino)furan-2-carboxylic acid is sourced from PubChem (CID 55049896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).