3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide

C15H13FN2O3 — CID 60997038

IUPAC3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
SMILESNC(=O)C1(Nc2cccc(F)c2)COc2cc(O)ccc21
InChIInChI=1S/C15H13FN2O3/c16-9-2-1-3-10(6-9)18-15(14(17)20)8-21-13-7-11(19)4-5-12(13)15/h1-7,18-19H,8H2,(H2,17,20)
InChIKeyKAZCAIYWJPCENO-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.72
Rot. Bonds3

About 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide

3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide (PubChem CID 60997038) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
PubChem CID60997038
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
SMILESNC(=O)C1(Nc2cccc(F)c2)COc2cc(O)ccc21
InChIInChI=1S/C15H13FN2O3/c16-9-2-1-3-10(6-9)18-15(14(17)20)8-21-13-7-11(19)4-5-12(13)15/h1-7,18-19H,8H2,(H2,17,20)
InChIKeyKAZCAIYWJPCENO-UHFFFAOYSA-N
XLogP1.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide?
The IUPAC name of 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide (CID 60997038) is 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide.
What is the SMILES notation for 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide?
The canonical SMILES for 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide is NC(=O)C1(Nc2cccc(F)c2)COc2cc(O)ccc21.
What is the InChIKey of 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide?
The InChIKey is KAZCAIYWJPCENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-9-2-1-3-10(6-9)18-15(14(17)20)8-21-13-7-11(19)4-5-12(13)15/h1-7,18-19H,8H2,(H2,17,20).
What are the key properties of 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide?
3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 60997038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).