7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide

C15H10Cl2FNO3 — CID 11953071

IUPAC7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2c(O)c(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H10Cl2FNO3/c16-8-2-1-3-9(17)12(8)6-4-10(18)13(20)7-5-11(15(19)21)22-14(6)7/h1-4,11,20H,5H2,(H2,19,21)
InChIKeyBYMZAXXEGABRME-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.29
Rot. Bonds2

About 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide

7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 11953071) has the molecular formula C15H10Cl2FNO3 and a molecular weight of 342.15 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID11953071
Molecular FormulaC15H10Cl2FNO3
Molecular Weight342.15 g/mol
Exact Mass341.00
IUPAC Name7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2c(O)c(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H10Cl2FNO3/c16-8-2-1-3-9(17)12(8)6-4-10(18)13(20)7-5-11(15(19)21)22-14(6)7/h1-4,11,20H,5H2,(H2,19,21)
InChIKeyBYMZAXXEGABRME-UHFFFAOYSA-N
XLogP3.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide (CID 11953071) is 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)C1Cc2c(O)c(F)cc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is BYMZAXXEGABRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO3/c16-8-2-1-3-9(17)12(8)6-4-10(18)13(20)7-5-11(15(19)21)22-14(6)7/h1-4,11,20H,5H2,(H2,19,21).
What are the key properties of 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide?
7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 342.15 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11953071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).