2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide

C15H8F5NO3 — CID 13097835

IUPAC2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide
SMILESO=C(NC1OC(O)c2ccccc21)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F5NO3/c16-8-7(9(17)11(19)12(20)10(8)18)13(22)21-14-5-3-1-2-4-6(5)15(23)24-14/h1-4,14-15,23H,(H,21,22)
InChIKeyBFOGMUSODBCYKG-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.83
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide

2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide (PubChem CID 13097835) has the molecular formula C15H8F5NO3 and a molecular weight of 345.22 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide
PubChem CID13097835
Molecular FormulaC15H8F5NO3
Molecular Weight345.22 g/mol
Exact Mass345.04
IUPAC Name2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide
SMILESO=C(NC1OC(O)c2ccccc21)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H8F5NO3/c16-8-7(9(17)11(19)12(20)10(8)18)13(22)21-14-5-3-1-2-4-6(5)15(23)24-14/h1-4,14-15,23H,(H,21,22)
InChIKeyBFOGMUSODBCYKG-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide (CID 13097835) is 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide is O=C(NC1OC(O)c2ccccc21)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide?
The InChIKey is BFOGMUSODBCYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5NO3/c16-8-7(9(17)11(19)12(20)10(8)18)13(22)21-14-5-3-1-2-4-6(5)15(23)24-14/h1-4,14-15,23H,(H,21,22).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide?
2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide has a molecular weight of 345.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide is sourced from PubChem (CID 13097835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).