2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide

C25H25BrN4O2 — CID 3641417

IUPAC2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Br)cc4)cc3n2)cc1
InChIInChI=1S/C25H25BrN4O2/c1-3-4-5-18-6-10-20(11-7-18)30-28-23-14-17(2)22(15-24(23)29-30)27-25(31)16-32-21-12-8-19(26)9-13-21/h6-15H,3-5,16H2,1-2H3,(H,27,31)
InChIKeyXQYUFWQDXVAJKU-UHFFFAOYSA-N
MW493.41 g/mol
LogP5.85
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide

2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide (PubChem CID 3641417) has the molecular formula C25H25BrN4O2 and a molecular weight of 493.41 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
PubChem CID3641417
Molecular FormulaC25H25BrN4O2
Molecular Weight493.41 g/mol
Exact Mass492.12
IUPAC Name2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
SMILESCCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Br)cc4)cc3n2)cc1
InChIInChI=1S/C25H25BrN4O2/c1-3-4-5-18-6-10-20(11-7-18)30-28-23-14-17(2)22(15-24(23)29-30)27-25(31)16-32-21-12-8-19(26)9-13-21/h6-15H,3-5,16H2,1-2H3,(H,27,31)
InChIKeyXQYUFWQDXVAJKU-UHFFFAOYSA-N
XLogP5.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 4517152
N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334917
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
CID 806738
N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide
CID 2067619
2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide
CID 23094976
2-(4-tert-butylphenoxy)-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17111095
2-(4-chloro-2-methylphenoxy)-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 1324519
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 17220518
2-(2,4-dibromo-6-methylphenoxy)-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 17220477
2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 168522128
N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318936

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide (CID 3641417) is 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide is CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Br)cc4)cc3n2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide?
The InChIKey is XQYUFWQDXVAJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN4O2/c1-3-4-5-18-6-10-20(11-7-18)30-28-23-14-17(2)22(15-24(23)29-30)27-25(31)16-32-21-12-8-19(26)9-13-21/h6-15H,3-5,16H2,1-2H3,(H,27,31).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide?
2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide has a molecular weight of 493.41 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide is sourced from PubChem (CID 3641417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).