2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

C22H19ClN4O3 — CID 4517152

IUPAC2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1
InChIInChI=1S/C22H19ClN4O3/c1-14-11-20-21(26-27(25-20)16-5-9-17(29-2)10-6-16)12-19(14)24-22(28)13-30-18-7-3-15(23)4-8-18/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyZDMVXCHIBVNXNF-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.41
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (PubChem CID 4517152) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
PubChem CID4517152
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1
InChIInChI=1S/C22H19ClN4O3/c1-14-11-20-21(26-27(25-20)16-5-9-17(29-2)10-6-16)12-19(14)24-22(28)13-30-18-7-3-15(23)4-8-18/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyZDMVXCHIBVNXNF-UHFFFAOYSA-N
XLogP4.41
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 1324519
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 23960748
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)-6-methylbenzotriazol-5-yl]propanamide
CID 806738
N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 17111168
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-2-naphthalen-1-yloxyacetamide
CID 17111080
2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 3641417
3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1365245
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
CID 2889295
2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 1292982

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide (CID 4517152) is 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The InChIKey is ZDMVXCHIBVNXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-14-11-20-21(26-27(25-20)16-5-9-17(29-2)10-6-16)12-19(14)24-22(28)13-30-18-7-3-15(23)4-8-18/h3-12H,13H2,1-2H3,(H,24,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide has a molecular weight of 422.87 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide is sourced from PubChem (CID 4517152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).