2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide

C23H18N4O4 — CID 16764891

IUPAC2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)COC3=O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C23H18N4O4/c1-14-6-9-21(20(10-14)27-25-18-4-2-3-5-19(18)26-27)30-13-22(28)24-16-7-8-17-15(11-16)12-31-23(17)29/h2-11H,12-13H2,1H3,(H,24,28)
InChIKeyJREDEVAFDOTUTJ-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide (PubChem CID 16764891) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
PubChem CID16764891
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)COC3=O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C23H18N4O4/c1-14-6-9-21(20(10-14)27-25-18-4-2-3-5-19(18)26-27)30-13-22(28)24-16-7-8-17-15(11-16)12-31-23(17)29/h2-11H,12-13H2,1H3,(H,24,28)
InChIKeyJREDEVAFDOTUTJ-UHFFFAOYSA-N
XLogP3.42
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
CID 91962426
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
CID 91962428
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
CID 17234031
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 71832692
1-[[2-[2-(benzotriazol-2-yl)-4-methylphenoxy]acetyl]amino]-3-methylthiourea
CID 5298641
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 9354919
3-[[2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]acetyl]amino]-N-methylbenzamide
CID 24582103
N-(4-chlorophenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 39890141
2-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]benzotriazole
CID 126655961
[2-(benzotriazol-2-yl)-4-methylphenyl] pyridine-4-carboxylate
CID 872291
N-(4-ethoxyphenyl)-2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 46366665
2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135843357

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide (CID 16764891) is 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide is Cc1ccc(OCC(=O)Nc2ccc3c(c2)COC3=O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide?
The InChIKey is JREDEVAFDOTUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-14-6-9-21(20(10-14)27-25-18-4-2-3-5-19(18)26-27)30-13-22(28)24-16-7-8-17-15(11-16)12-31-23(17)29/h2-11H,12-13H2,1H3,(H,24,28).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide?
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide has a molecular weight of 414.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide is sourced from PubChem (CID 16764891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).