N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

C20H20ClNO2 — CID 18872237

IUPACN-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1cc2occ(CC(=O)N(C)Cc3ccccc3)c2c(C)c1Cl
InChIInChI=1S/C20H20ClNO2/c1-13-9-17-19(14(2)20(13)21)16(12-24-17)10-18(23)22(3)11-15-7-5-4-6-8-15/h4-9,12H,10-11H2,1-3H3
InChIKeyYKPHZBSQBJXKOU-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.90
Rot. Bonds4

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

N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (PubChem CID 18872237) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
PubChem CID18872237
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC NameN-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1cc2occ(CC(=O)N(C)Cc3ccccc3)c2c(C)c1Cl
InChIInChI=1S/C20H20ClNO2/c1-13-9-17-19(14(2)20(13)21)16(12-24-17)10-18(23)22(3)11-15-7-5-4-6-8-15/h4-9,12H,10-11H2,1-3H3
InChIKeyYKPHZBSQBJXKOU-UHFFFAOYSA-N
XLogP4.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(oxan-4-yl)acetamide
CID 118793102
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78770799
N-benzyl-2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-methylacetamide
CID 19202013
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-propylacetamide
CID 18872161
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide
CID 18872133
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetic acid
CID 107725443
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18872138
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525269
N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 38041694

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (CID 18872237) is N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is Cc1cc2occ(CC(=O)N(C)Cc3ccccc3)c2c(C)c1Cl.
What is the InChIKey of N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The InChIKey is YKPHZBSQBJXKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-13-9-17-19(14(2)20(13)21)16(12-24-17)10-18(23)22(3)11-15-7-5-4-6-8-15/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide has a molecular weight of 341.84 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 18872237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).