5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide

C15H9BrClNO2 — CID 2988849

IUPAC5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H9BrClNO2/c16-10-5-6-13-9(7-10)8-14(20-13)15(19)18-12-4-2-1-3-11(12)17/h1-8H,(H,18,19)
InChIKeyBAVMJWMNFMODAM-UHFFFAOYSA-N
MW350.60 g/mol
LogP5.10
Rot. Bonds2

About 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide

5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 2988849) has the molecular formula C15H9BrClNO2 and a molecular weight of 350.60 g/mol. Its IUPAC name is 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
PubChem CID2988849
Molecular FormulaC15H9BrClNO2
Molecular Weight350.60 g/mol
Exact Mass348.95
IUPAC Name5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H9BrClNO2/c16-10-5-6-13-9(7-10)8-14(20-13)15(19)18-12-4-2-1-3-11(12)17/h1-8H,(H,18,19)
InChIKeyBAVMJWMNFMODAM-UHFFFAOYSA-N
XLogP5.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.60
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide (CID 2988849) is 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1Cl)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is BAVMJWMNFMODAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2/c16-10-5-6-13-9(7-10)8-14(20-13)15(19)18-12-4-2-1-3-11(12)17/h1-8H,(H,18,19).
What are the key properties of 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide?
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 350.60 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2988849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).