N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide

C16H13BrN2O2 — CID 156620523

IUPACN-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2occ(CC(=O)Nc3ccc(Br)cn3)c2c1
InChIInChI=1S/C16H13BrN2O2/c1-10-2-4-14-13(6-10)11(9-21-14)7-16(20)19-15-5-3-12(17)8-18-15/h2-6,8-9H,7H2,1H3,(H,18,19,20)
InChIKeyZWJVFYPAKORRIU-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.08
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide

N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 156620523) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
PubChem CID156620523
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2occ(CC(=O)Nc3ccc(Br)cn3)c2c1
InChIInChI=1S/C16H13BrN2O2/c1-10-2-4-14-13(6-10)11(9-21-14)7-16(20)19-15-5-3-12(17)8-18-15/h2-6,8-9H,7H2,1H3,(H,18,19,20)
InChIKeyZWJVFYPAKORRIU-UHFFFAOYSA-N
XLogP4.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
2-(5-methyl-1-benzofuran-3-yl)-N-pyridin-3-ylacetamide
CID 2973081
2-(6-methyl-1-benzofuran-3-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55978691
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 23889660
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372
N-(5-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)acetamide
CID 60655374
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 18872422
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide (CID 156620523) is N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2occ(CC(=O)Nc3ccc(Br)cn3)c2c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is ZWJVFYPAKORRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10-2-4-14-13(6-10)11(9-21-14)7-16(20)19-15-5-3-12(17)8-18-15/h2-6,8-9H,7H2,1H3,(H,18,19,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide?
N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 345.20 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 156620523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).