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

C15H13BrFNO2 — CID 60734129

IUPAC5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESO=C(NC1CCCc2occc21)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c16-9-4-5-12(17)11(8-9)15(19)18-13-2-1-3-14-10(13)6-7-20-14/h4-8,13H,1-3H2,(H,18,19)
InChIKeyQDJQFNWMTQZMEU-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.99
Rot. Bonds2

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

5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (PubChem CID 60734129) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
PubChem CID60734129
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESO=C(NC1CCCc2occc21)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c16-9-4-5-12(17)11(8-9)15(19)18-13-2-1-3-14-10(13)6-7-20-14/h4-8,13H,1-3H2,(H,18,19)
InChIKeyQDJQFNWMTQZMEU-UHFFFAOYSA-N
XLogP3.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208223
2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 103891865
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 43063208
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890613
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 107813044
7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide
CID 86923970
2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71940019
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 60734553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (CID 60734129) is 5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is O=C(NC1CCCc2occc21)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The InChIKey is QDJQFNWMTQZMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-9-4-5-12(17)11(8-9)15(19)18-13-2-1-3-14-10(13)6-7-20-14/h4-8,13H,1-3H2,(H,18,19).
What are the key properties of 5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide has a molecular weight of 338.18 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 60734129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).