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

C15H14FNO2 — CID 86923832

IUPAC3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESO=C(NC1CCCc2occc21)c1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c16-11-4-1-3-10(9-11)15(18)17-13-5-2-6-14-12(13)7-8-19-14/h1,3-4,7-9,13H,2,5-6H2,(H,17,18)
InChIKeyAZJFQRWWFAAEAW-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.23
Rot. Bonds2

About 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (PubChem CID 86923832) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
PubChem CID86923832
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESO=C(NC1CCCc2occc21)c1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c16-11-4-1-3-10(9-11)15(18)17-13-5-2-6-14-12(13)7-8-19-14/h1,3-4,7-9,13H,2,5-6H2,(H,17,18)
InChIKeyAZJFQRWWFAAEAW-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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Related Compounds

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide
CID 60735715
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86923838
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 107813044
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734129
2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 103891865
6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 100650137
4-chloro-3-nitro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491144
7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide
CID 86923970
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide
CID 62233683
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]benzamide
CID 39999846

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The IUPAC name of 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (CID 86923832) is 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is O=C(NC1CCCc2occc21)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The InChIKey is AZJFQRWWFAAEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-11-4-1-3-10(9-11)15(18)17-13-5-2-6-14-12(13)7-8-19-14/h1,3-4,7-9,13H,2,5-6H2,(H,17,18).
What are the key properties of 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
3-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 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 86923832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).