2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C18H17ClN2O2 — CID 2984880

IUPAC2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc2occ(CC(=O)NCc3ccccn3)c2c(C)c1Cl
InChIInChI=1S/C18H17ClN2O2/c1-11-7-15-17(12(2)18(11)19)13(10-23-15)8-16(22)21-9-14-5-3-4-6-20-14/h3-7,10H,8-9H2,1-2H3,(H,21,22)
InChIKeyBJSQDMNVBFGVJI-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.96
Rot. Bonds4

About 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 2984880) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID2984880
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc2occ(CC(=O)NCc3ccccn3)c2c(C)c1Cl
InChIInChI=1S/C18H17ClN2O2/c1-11-7-15-17(12(2)18(11)19)13(10-23-15)8-16(22)21-9-14-5-3-4-6-20-14/h3-7,10H,8-9H2,1-2H3,(H,21,22)
InChIKeyBJSQDMNVBFGVJI-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide
CID 18872161
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
2-(4-chloro-2,6-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 9414673
5-chloro-3-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40708349
2-(2,4-dimethoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110769817
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 112977163
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18872138
2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 86798698
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 4974861
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51968597
2-(2-amino-5-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 69335780

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 2984880) is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1cc2occ(CC(=O)NCc3ccccn3)c2c(C)c1Cl.
What is the InChIKey of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BJSQDMNVBFGVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-7-15-17(12(2)18(11)19)13(10-23-15)8-16(22)21-9-14-5-3-4-6-20-14/h3-7,10H,8-9H2,1-2H3,(H,21,22).
What are the key properties of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 2984880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).