2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

C15H14FNO2 — CID 3490743

IUPAC2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESO=C(NC1CCCc2occc21)c1ccccc1F
InChIInChI=1S/C15H14FNO2/c16-12-5-2-1-4-10(12)15(18)17-13-6-3-7-14-11(13)8-9-19-14/h1-2,4-5,8-9,13H,3,6-7H2,(H,17,18)
InChIKeyOBWINRLRIXSAPZ-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.23
Rot. Bonds2

About 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (PubChem CID 3490743) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
PubChem CID3490743
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESO=C(NC1CCCc2occc21)c1ccccc1F
InChIInChI=1S/C15H14FNO2/c16-12-5-2-1-4-10(12)15(18)17-13-6-3-7-14-11(13)8-9-19-14/h1-2,4-5,8-9,13H,3,6-7H2,(H,17,18)
InChIKeyOBWINRLRIXSAPZ-UHFFFAOYSA-N
XLogP3.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (CID 3490743) is 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is O=C(NC1CCCc2occc21)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The InChIKey is OBWINRLRIXSAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-12-5-2-1-4-10(12)15(18)17-13-6-3-7-14-11(13)8-9-19-14/h1-2,4-5,8-9,13H,3,6-7H2,(H,17,18).
What are the key properties of 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide has a molecular weight of 259.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 3490743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).