2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide

C26H21ClN4O2 — CID 3525566

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)cc(C)c1Cl
InChIInChI=1S/C26H21ClN4O2/c1-16-12-20(13-17(2)26(16)27)33-15-25(32)28-19-10-11-22-23(14-19)30-31(29-22)24-9-5-7-18-6-3-4-8-21(18)24/h3-14H,15H2,1-2H3,(H,28,32)
InChIKeyBQPHWLGTZKQCPJ-UHFFFAOYSA-N
MW456.93 g/mol
LogP5.86
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide (PubChem CID 3525566) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
PubChem CID3525566
Molecular FormulaC26H21ClN4O2
Molecular Weight456.93 g/mol
Exact Mass456.14
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)cc(C)c1Cl
InChIInChI=1S/C26H21ClN4O2/c1-16-12-20(13-17(2)26(16)27)33-15-25(32)28-19-10-11-22-23(14-19)30-31(29-22)24-9-5-7-18-6-3-4-8-21(18)24/h3-14H,15H2,1-2H3,(H,28,32)
InChIKeyBQPHWLGTZKQCPJ-UHFFFAOYSA-N
XLogP5.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]acetamide
CID 23794598
2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
CID 22782534
2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 4244782
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 15994533
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
CID 40617668
2-methoxy-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 1336954
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17227717
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3382026
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 23741815

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide (CID 3525566) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide is Cc1cc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
The InChIKey is BQPHWLGTZKQCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c1-16-12-20(13-17(2)26(16)27)33-15-25(32)28-19-10-11-22-23(14-19)30-31(29-22)24-9-5-7-18-6-3-4-8-21(18)24/h3-14H,15H2,1-2H3,(H,28,32).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide has a molecular weight of 456.93 g/mol, XLogP of 5.86, 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-naphthalen-1-ylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 3525566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).