6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

C16H9BrF3NO2 — CID 112520679

IUPAC6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C16H9BrF3NO2/c17-10-6-5-9-7-14(23-13(9)8-10)15(22)21-12-4-2-1-3-11(12)16(18,19)20/h1-8H,(H,21,22)
InChIKeySGQYMXFJPNFDRB-UHFFFAOYSA-N
MW384.15 g/mol
LogP5.47
Rot. Bonds2

About 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 112520679) has the molecular formula C16H9BrF3NO2 and a molecular weight of 384.15 g/mol. Its IUPAC name is 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID112520679
Molecular FormulaC16H9BrF3NO2
Molecular Weight384.15 g/mol
Exact Mass382.98
IUPAC Name6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc2ccc(Br)cc2o1
InChIInChI=1S/C16H9BrF3NO2/c17-10-6-5-9-7-14(23-13(9)8-10)15(22)21-12-4-2-1-3-11(12)16(18,19)20/h1-8H,(H,21,22)
InChIKeySGQYMXFJPNFDRB-UHFFFAOYSA-N
XLogP5.47
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.15
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide
CID 112526905
7-fluoro-1-oxo-N-[2-(trifluoromethyl)phenyl]isochromene-3-carboxamide
CID 175652114
6-bromo-N-[(2-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
CID 84577117
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
6-bromo-N-(2,6-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 112525306
6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 84576525
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
CID 112527825
6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529403
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225311

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (CID 112520679) is 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cc2ccc(Br)cc2o1.
What is the InChIKey of 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SGQYMXFJPNFDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3NO2/c17-10-6-5-9-7-14(23-13(9)8-10)15(22)21-12-4-2-1-3-11(12)16(18,19)20/h1-8H,(H,21,22).
What are the key properties of 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 384.15 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112520679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).