N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide

C16H11BrClNO2 — CID 9159182

IUPACN-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H11BrClNO2/c1-9-6-11(17)2-4-13(9)19-16(20)15-8-10-7-12(18)3-5-14(10)21-15/h2-8H,1H3,(H,19,20)
InChIKeyGERGDEUXZAZXOK-UHFFFAOYSA-N
MW364.63 g/mol
LogP5.41
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide

N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide (PubChem CID 9159182) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
PubChem CID9159182
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC NameN-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H11BrClNO2/c1-9-6-11(17)2-4-13(9)19-16(20)15-8-10-7-12(18)3-5-14(10)21-15/h2-8H,1H3,(H,19,20)
InChIKeyGERGDEUXZAZXOK-UHFFFAOYSA-N
XLogP5.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.63
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
5-chloro-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 99818760
6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 84576525
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26812074
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 22620279
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-chloro-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 46485499
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide (CID 9159182) is N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide?
The InChIKey is GERGDEUXZAZXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c1-9-6-11(17)2-4-13(9)19-16(20)15-8-10-7-12(18)3-5-14(10)21-15/h2-8H,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide?
N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide has a molecular weight of 364.63 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9159182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).