3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide

C15H13FN2O3 — CID 61005065

IUPAC3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)COc2cc(O)ccc21
InChIInChI=1S/C15H13FN2O3/c16-9-1-3-10(4-2-9)18-15(14(17)20)8-21-13-7-11(19)5-6-12(13)15/h1-7,18-19H,8H2,(H2,17,20)
InChIKeyRYLYUEBKGZGBHD-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.72
Rot. Bonds3

About 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide

3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide (PubChem CID 61005065) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
PubChem CID61005065
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)COc2cc(O)ccc21
InChIInChI=1S/C15H13FN2O3/c16-9-1-3-10(4-2-9)18-15(14(17)20)8-21-13-7-11(19)5-6-12(13)15/h1-7,18-19H,8H2,(H2,17,20)
InChIKeyRYLYUEBKGZGBHD-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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Related Compounds

6-(trifluoromethoxy)spiro[1-benzofuran-3,3'-indol]-2'(1'H)one
CID 11998469
5-fluoro-6-methoxyspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 46194048
4-Fluoro-3-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide
CID 43701230
2-Fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzamide
CID 43705412
6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide
CID 54892968
3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
CID 60986977
3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
CID 60990182
3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid
CID 60991955
3-(2-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid
CID 60994613
3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxylic acid
CID 60994857
3-(2-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
CID 60995641
3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
CID 60997038

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide?
The IUPAC name of 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide (CID 61005065) is 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide.
What is the SMILES notation for 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide?
The canonical SMILES for 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide is NC(=O)C1(Nc2ccc(F)cc2)COc2cc(O)ccc21.
What is the InChIKey of 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide?
The InChIKey is RYLYUEBKGZGBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-9-1-3-10(4-2-9)18-15(14(17)20)8-21-13-7-11(19)5-6-12(13)15/h1-7,18-19H,8H2,(H2,17,20).
What are the key properties of 3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide?
3-(4-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-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 61005065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).