2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide

C24H23ClN4O3 — CID 17219947

IUPAC2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-4-31-19-8-6-18(7-9-19)29-27-21-10-5-17(13-22(21)28-29)26-23(30)14-32-24-16(3)11-15(2)12-20(24)25/h5-13H,4,14H2,1-3H3,(H,26,30)
InChIKeySQVDRPMYOFOQLR-UHFFFAOYSA-N
MW450.93 g/mol
LogP5.11
Rot. Bonds7

About 2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide

2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide (PubChem CID 17219947) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
PubChem CID17219947
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-4-31-19-8-6-18(7-9-19)29-27-21-10-5-17(13-22(21)28-29)26-23(30)14-32-24-16(3)11-15(2)12-20(24)25/h5-13H,4,14H2,1-3H3,(H,26,30)
InChIKeySQVDRPMYOFOQLR-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

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 17220518
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395606
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 23099238
5-bromo-2-chloro-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 1108421
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide
CID 23794598
2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163
N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318936
2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 1324519
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7442107
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 17220325
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 17219884

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide (CID 17219947) is 2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide is CCOc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is SQVDRPMYOFOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-4-31-19-8-6-18(7-9-19)29-27-21-10-5-17(13-22(21)28-29)26-23(30)14-32-24-16(3)11-15(2)12-20(24)25/h5-13H,4,14H2,1-3H3,(H,26,30).
What are the key properties of 2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide?
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-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-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 17219947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).