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

C18H22ClNO3 — CID 118793102

IUPAC2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)C3CCOCC3)c2c(C)c1Cl
InChIInChI=1S/C18H22ClNO3/c1-11-8-15-17(12(2)18(11)19)13(10-23-15)9-16(21)20(3)14-4-6-22-7-5-14/h8,10,14H,4-7,9H2,1-3H3
InChIKeySIXLQLGGJNODKH-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.88
Rot. Bonds3

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

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 118793102) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID118793102
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)C3CCOCC3)c2c(C)c1Cl
InChIInChI=1S/C18H22ClNO3/c1-11-8-15-17(12(2)18(11)19)13(10-23-15)9-16(21)20(3)14-4-6-22-7-5-14/h8,10,14H,4-7,9H2,1-3H3
InChIKeySIXLQLGGJNODKH-UHFFFAOYSA-N
XLogP3.88
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide (CID 118793102) is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide is Cc1cc2occ(CC(=O)N(C)C3CCOCC3)c2c(C)c1Cl.
What is the InChIKey of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is SIXLQLGGJNODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-11-8-15-17(12(2)18(11)19)13(10-23-15)9-16(21)20(3)14-4-6-22-7-5-14/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide?
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 335.83 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 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-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 118793102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).