2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C23H23N3O2 — CID 55954134

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc2c(CC(=O)NCc3cccc(Cn4cccn4)c3)coc2c1C
InChIInChI=1S/C23H23N3O2/c1-16-7-8-21-20(15-28-23(21)17(16)2)12-22(27)24-13-18-5-3-6-19(11-18)14-26-10-4-9-25-26/h3-11,15H,12-14H2,1-2H3,(H,24,27)
InChIKeyBWKVBCGOJLBBOO-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.15
Rot. Bonds6

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55954134) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55954134
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc2c(CC(=O)NCc3cccc(Cn4cccn4)c3)coc2c1C
InChIInChI=1S/C23H23N3O2/c1-16-7-8-21-20(15-28-23(21)17(16)2)12-22(27)24-13-18-5-3-6-19(11-18)14-26-10-4-9-25-26/h3-11,15H,12-14H2,1-2H3,(H,24,27)
InChIKeyBWKVBCGOJLBBOO-UHFFFAOYSA-N
XLogP4.15
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953897
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8944117
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
CID 60552907
3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 87042762
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660
2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55953512
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 9481437
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55954134) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is Cc1ccc2c(CC(=O)NCc3cccc(Cn4cccn4)c3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is BWKVBCGOJLBBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-7-8-21-20(15-28-23(21)17(16)2)12-22(27)24-13-18-5-3-6-19(11-18)14-26-10-4-9-25-26/h3-11,15H,12-14H2,1-2H3,(H,24,27).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55954134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).