N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide

C18H14BrNO3 — CID 2115784

IUPACN-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1
InChIInChI=1S/C18H14BrNO3/c1-10-15-9-13(19)5-8-16(15)23-17(10)18(22)20-14-6-3-12(4-7-14)11(2)21/h3-9H,1-2H3,(H,20,22)
InChIKeyOFEFDDROLHAJHX-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.96
Rot. Bonds3

About N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide

N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2115784) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2115784
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC NameN-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1
InChIInChI=1S/C18H14BrNO3/c1-10-15-9-13(19)5-8-16(15)23-17(10)18(22)20-14-6-3-12(4-7-14)11(2)21/h3-9H,1-2H3,(H,20,22)
InChIKeyOFEFDDROLHAJHX-UHFFFAOYSA-N
XLogP4.96
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 2469337
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
N-(1,3-benzodioxol-5-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2470869
methyl 4-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylbenzoate
CID 36930678
5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983
methyl 3-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4-chlorobenzoate
CID 18273257
5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 26921628
5-bromo-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 39727003
5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 17461489
5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 155942919

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide (CID 2115784) is N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide is CC(=O)c1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OFEFDDROLHAJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3/c1-10-15-9-13(19)5-8-16(15)23-17(10)18(22)20-14-6-3-12(4-7-14)11(2)21/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2115784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).