2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid

C15H12FNO4 — CID 43727982

IUPAC2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid
SMILESO=C(O)c1cc(NC2COc3cc(O)ccc32)ccc1F
InChIInChI=1S/C15H12FNO4/c16-12-4-1-8(5-11(12)15(19)20)17-13-7-21-14-6-9(18)2-3-10(13)14/h1-6,13,17-18H,7H2,(H,19,20)
InChIKeyFJQIGJZEPCAXRC-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.78
Rot. Bonds3

About 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid

2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid (PubChem CID 43727982) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid
PubChem CID43727982
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid
SMILESO=C(O)c1cc(NC2COc3cc(O)ccc32)ccc1F
InChIInChI=1S/C15H12FNO4/c16-12-4-1-8(5-11(12)15(19)20)17-13-7-21-14-6-9(18)2-3-10(13)14/h1-6,13,17-18H,7H2,(H,19,20)
InChIKeyFJQIGJZEPCAXRC-UHFFFAOYSA-N
XLogP2.78
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid (CID 43727982) is 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid is O=C(O)c1cc(NC2COc3cc(O)ccc32)ccc1F.
What is the InChIKey of 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid?
The InChIKey is FJQIGJZEPCAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-12-4-1-8(5-11(12)15(19)20)17-13-7-21-14-6-9(18)2-3-10(13)14/h1-6,13,17-18H,7H2,(H,19,20).
What are the key properties of 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid?
2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]benzoic acid is sourced from PubChem (CID 43727982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).