5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide

C16H12BrNO3 — CID 2986420

IUPAC5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C16H12BrNO3/c1-20-13-5-3-12(4-6-13)18-16(19)15-9-10-8-11(17)2-7-14(10)21-15/h2-9H,1H3,(H,18,19)
InChIKeyGDWFDXNYLMFZCQ-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.46
Rot. Bonds3

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

5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 2986420) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID2986420
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C16H12BrNO3/c1-20-13-5-3-12(4-6-13)18-16(19)15-9-10-8-11(17)2-7-14(10)21-15/h2-9H,1H3,(H,18,19)
InChIKeyGDWFDXNYLMFZCQ-UHFFFAOYSA-N
XLogP4.46
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19225305
2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40913874
5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 19225383
2-methylpropyl 4-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225315
5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55782296
[4-[(4-chlorophenyl)carbamoyl]phenyl] 5-bromo-1-benzofuran-2-carboxylate
CID 19225501
5-bromo-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5433414
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1-benzofuran-2-carboxamide
CID 90854337
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225311

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide (CID 2986420) is 5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1.
What is the InChIKey of 5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is GDWFDXNYLMFZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c1-20-13-5-3-12(4-6-13)18-16(19)15-9-10-8-11(17)2-7-14(10)21-15/h2-9H,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2986420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).