2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

C24H23ClN4O3 — CID 1324519

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4C)cc3n2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-4-31-19-8-6-18(7-9-19)29-27-21-12-15(2)20(13-22(21)28-29)26-24(30)14-32-23-10-5-17(25)11-16(23)3/h5-13H,4,14H2,1-3H3,(H,26,30)
InChIKeyRLOIIWFWVJUTKY-UHFFFAOYSA-N
MW450.93 g/mol
LogP5.11
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (PubChem CID 1324519) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
PubChem CID1324519
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4C)cc3n2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-4-31-19-8-6-18(7-9-19)29-27-21-12-15(2)20(13-22(21)28-29)26-24(30)14-32-23-10-5-17(25)11-16(23)3/h5-13H,4,14H2,1-3H3,(H,26,30)
InChIKeyRLOIIWFWVJUTKY-UHFFFAOYSA-N
XLogP5.11
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.93
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 4517152
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide
CID 17111080
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
CID 806738
3-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 23988877
2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 168522128
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
2-(4-tert-butylphenoxy)-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17111095
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3405005
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 3641417
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
CID 17219947
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 17220518

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (CID 1324519) is 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is CCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4C)cc3n2)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The InChIKey is RLOIIWFWVJUTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-4-31-19-8-6-18(7-9-19)29-27-21-12-15(2)20(13-22(21)28-29)26-24(30)14-32-23-10-5-17(25)11-16(23)3/h5-13H,4,14H2,1-3H3,(H,26,30).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide has a molecular weight of 450.93 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is sourced from PubChem (CID 1324519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).