2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide

C24H23ClN4O2 — CID 23794598

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1C
InChIInChI=1S/C24H23ClN4O2/c1-14-5-7-19(9-15(14)2)29-27-21-8-6-18(12-22(21)28-29)26-23(30)13-31-20-10-16(3)24(25)17(4)11-20/h5-12H,13H2,1-4H3,(H,26,30)
InChIKeyPLETXFXGGBCUEW-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.33
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide (PubChem CID 23794598) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide
PubChem CID23794598
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1C
InChIInChI=1S/C24H23ClN4O2/c1-14-5-7-19(9-15(14)2)29-27-21-8-6-18(12-22(21)28-29)26-23(30)13-31-20-10-16(3)24(25)17(4)11-20/h5-12H,13H2,1-4H3,(H,26,30)
InChIKeyPLETXFXGGBCUEW-UHFFFAOYSA-N
XLogP5.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
CID 3525566
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3382026
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-(2-fluorophenoxy)acetamide
CID 17220308
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
CID 17219947
N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318936
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide
CID 23821651
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 21216589

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide (CID 23794598) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide is Cc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is PLETXFXGGBCUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-14-5-7-19(9-15(14)2)29-27-21-8-6-18(12-22(21)28-29)26-23(30)13-31-20-10-16(3)24(25)17(4)11-20/h5-12H,13H2,1-4H3,(H,26,30).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 434.93 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 23794598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).