2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide

C18H21ClN4O3 — CID 131943221

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide
SMILESCOCCn1cnnc1CN(C)C(=O)Cc1coc2cc(C)c(Cl)cc12
InChIInChI=1S/C18H21ClN4O3/c1-12-6-16-14(8-15(12)19)13(10-26-16)7-18(24)22(2)9-17-21-20-11-23(17)4-5-25-3/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyJMHOGACCZQGYNJ-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.83
Rot. Bonds7

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide (PubChem CID 131943221) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide
PubChem CID131943221
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide
SMILESCOCCn1cnnc1CN(C)C(=O)Cc1coc2cc(C)c(Cl)cc12
InChIInChI=1S/C18H21ClN4O3/c1-12-6-16-14(8-15(12)19)13(10-26-16)7-18(24)22(2)9-17-21-20-11-23(17)4-5-25-3/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyJMHOGACCZQGYNJ-UHFFFAOYSA-N
XLogP2.83
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide
CID 131904939
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[2-(triazol-1-yl)ethyl]acetamide
CID 122571090
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 119066171
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 18114112
5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide
CID 134706763
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78770799
1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72916109
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 131914732
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 135114299
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide (CID 131943221) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide is COCCn1cnnc1CN(C)C(=O)Cc1coc2cc(C)c(Cl)cc12.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide?
The InChIKey is JMHOGACCZQGYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-12-6-16-14(8-15(12)19)13(10-26-16)7-18(24)22(2)9-17-21-20-11-23(17)4-5-25-3/h6,8,10-11H,4-5,7,9H2,1-3H3.
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide has a molecular weight of 376.84 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 131943221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).