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

C12H12ClNO2 — CID 2991797

IUPAC2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(N)=O)c2c(C)c1Cl
InChIInChI=1S/C12H12ClNO2/c1-6-3-9-11(7(2)12(6)13)8(5-16-9)4-10(14)15/h3,5H,4H2,1-2H3,(H2,14,15)
InChIKeyVFTNDKWGDNESKX-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.73
Rot. Bonds2

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

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 2991797) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID2991797
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(N)=O)c2c(C)c1Cl
InChIInChI=1S/C12H12ClNO2/c1-6-3-9-11(7(2)12(6)13)8(5-16-9)4-10(14)15/h3,5H,4H2,1-2H3,(H2,14,15)
InChIKeyVFTNDKWGDNESKX-UHFFFAOYSA-N
XLogP2.73
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 2991797) is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(N)=O)c2c(C)c1Cl.
What is the InChIKey of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is VFTNDKWGDNESKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-6-3-9-11(7(2)12(6)13)8(5-16-9)4-10(14)15/h3,5H,4H2,1-2H3,(H2,14,15).
What are the key properties of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide?
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 237.69 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2991797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).