2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide

C13H14ClNO2 — CID 2986395

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
SMILESCc1cc2occ(CC(=O)N(C)C)c2cc1Cl
InChIInChI=1S/C13H14ClNO2/c1-8-4-12-10(6-11(8)14)9(7-17-12)5-13(16)15(2)3/h4,6-7H,5H2,1-3H3
InChIKeyCSLWWYVWEQYXFR-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.03
Rot. Bonds2

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide (PubChem CID 2986395) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
PubChem CID2986395
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
SMILESCc1cc2occ(CC(=O)N(C)C)c2cc1Cl
InChIInChI=1S/C13H14ClNO2/c1-8-4-12-10(6-11(8)14)9(7-17-12)5-13(16)15(2)3/h4,6-7H,5H2,1-3H3
InChIKeyCSLWWYVWEQYXFR-UHFFFAOYSA-N
XLogP3.03
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 7393915
N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide
CID 131943221
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065
N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 119652946
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]ethanone
CID 137339572
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
CID 131938136
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 18871988
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119550456
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide (CID 2986395) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide is Cc1cc2occ(CC(=O)N(C)C)c2cc1Cl.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide?
The InChIKey is CSLWWYVWEQYXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-8-4-12-10(6-11(8)14)9(7-17-12)5-13(16)15(2)3/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide has a molecular weight of 251.71 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 2986395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).