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

C20H20ClNO2 — CID 18872133

IUPAC2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1
InChIInChI=1S/C20H20ClNO2/c1-11-5-12(2)7-16(6-11)22-18(23)9-15-10-24-17-8-13(3)20(21)14(4)19(15)17/h5-8,10H,9H2,1-4H3,(H,22,23)
InChIKeyCWGZNEHOYAHATQ-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.50
Rot. Bonds3

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

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 18872133) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID18872133
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1
InChIInChI=1S/C20H20ClNO2/c1-11-5-12(2)7-16(6-11)22-18(23)9-15-10-24-17-8-13(3)20(21)14(4)19(15)17/h5-8,10H,9H2,1-4H3,(H,22,23)
InChIKeyCWGZNEHOYAHATQ-UHFFFAOYSA-N
XLogP5.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3-methylphenyl)acetamide
CID 18872199
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18872138
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide
CID 18872161
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 18872134
N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872224
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 2984880
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[[(3S)-oxan-3-yl]methyl]acetamide
CID 125175685
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetic acid
CID 107725443
N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18872237
N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81048081

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide (CID 18872133) is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(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-(3,5-dimethylphenyl)acetamide?
The InChIKey is CWGZNEHOYAHATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-11-5-12(2)7-16(6-11)22-18(23)9-15-10-24-17-8-13(3)20(21)14(4)19(15)17/h5-8,10H,9H2,1-4H3,(H,22,23).
What are the key properties of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide?
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 341.84 g/mol, XLogP of 5.50, 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-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 18872133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).