3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide

C15H11BrFNO2 — CID 103707167

IUPAC3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
SMILESO=C(NC1COc2ccccc21)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrFNO2/c16-11-7-9(5-6-12(11)17)15(19)18-13-8-20-14-4-2-1-3-10(13)14/h1-7,13H,8H2,(H,18,19)
InChIKeyGKUAKXDBDMOTCO-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.45
Rot. Bonds2

About 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide

3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide (PubChem CID 103707167) has the molecular formula C15H11BrFNO2 and a molecular weight of 336.16 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
PubChem CID103707167
Molecular FormulaC15H11BrFNO2
Molecular Weight336.16 g/mol
Exact Mass335.00
IUPAC Name3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
SMILESO=C(NC1COc2ccccc21)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrFNO2/c16-11-7-9(5-6-12(11)17)15(19)18-13-8-20-14-4-2-1-3-10(13)14/h1-7,13H,8H2,(H,18,19)
InChIKeyGKUAKXDBDMOTCO-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
CID 110751620
N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107030521
4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
CID 62071970
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
CID 103892306
6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
CID 113343314
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 94828983
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide (CID 103707167) is 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide is O=C(NC1COc2ccccc21)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide?
The InChIKey is GKUAKXDBDMOTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2/c16-11-7-9(5-6-12(11)17)15(19)18-13-8-20-14-4-2-1-3-10(13)14/h1-7,13H,8H2,(H,18,19).
What are the key properties of 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide?
3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide has a molecular weight of 336.16 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 103707167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).