2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide

C11H10ClNO2 — CID 2987297

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(N)=O)c2cc1Cl
InChIInChI=1S/C11H10ClNO2/c1-6-2-10-8(4-9(6)12)7(5-15-10)3-11(13)14/h2,4-5H,3H2,1H3,(H2,13,14)
InChIKeyDJJRJQKRSSUZIN-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.42
Rot. Bonds2

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide

2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 2987297) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID2987297
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(N)=O)c2cc1Cl
InChIInChI=1S/C11H10ClNO2/c1-6-2-10-8(4-9(6)12)7(5-15-10)3-11(13)14/h2,4-5H,3H2,1H3,(H2,13,14)
InChIKeyDJJRJQKRSSUZIN-UHFFFAOYSA-N
XLogP2.42
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide (CID 2987297) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(N)=O)c2cc1Cl.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is DJJRJQKRSSUZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-6-2-10-8(4-9(6)12)7(5-15-10)3-11(13)14/h2,4-5H,3H2,1H3,(H2,13,14).
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 223.66 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 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)acetamide is sourced from PubChem (CID 2987297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).