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

C19H18ClNO2 — CID 18872199

IUPAC2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1
InChIInChI=1S/C19H18ClNO2/c1-11-5-4-6-15(7-11)21-17(22)9-14-10-23-16-8-12(2)19(20)13(3)18(14)16/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyJJYJYUBNIHHOGJ-UHFFFAOYSA-N
MW327.81 g/mol
LogP5.19
Rot. Bonds3

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

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide (PubChem CID 18872199) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide
PubChem CID18872199
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1
InChIInChI=1S/C19H18ClNO2/c1-11-5-4-6-15(7-11)21-17(22)9-14-10-23-16-8-12(2)19(20)13(3)18(14)16/h4-8,10H,9H2,1-3H3,(H,21,22)
InChIKeyJJYJYUBNIHHOGJ-UHFFFAOYSA-N
XLogP5.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.81
LogP ≤ 55.19
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)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide (CID 18872199) is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1.
What is the InChIKey of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is JJYJYUBNIHHOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-11-5-4-6-15(7-11)21-17(22)9-14-10-23-16-8-12(2)19(20)13(3)18(14)16/h4-8,10H,9H2,1-3H3,(H,21,22).
What are the key properties of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide?
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 327.81 g/mol, XLogP of 5.19, 3 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)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 18872199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).