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

C26H28ClN5O2 — CID 17117401

IUPAC2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
SMILESCCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4Cl)cc3n2)c(C)c1
InChIInChI=1S/C26H28ClN5O2/c1-5-31(6-2)19-11-12-24(18(4)13-19)32-29-22-14-17(3)21(15-23(22)30-32)28-26(33)16-34-25-10-8-7-9-20(25)27/h7-15H,5-6,16H2,1-4H3,(H,28,33)
InChIKeyFQPCDXORKKUKLE-UHFFFAOYSA-N
MW478.00 g/mol
LogP5.55
Rot. Bonds8

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

2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide (PubChem CID 17117401) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
PubChem CID17117401
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
SMILESCCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4Cl)cc3n2)c(C)c1
InChIInChI=1S/C26H28ClN5O2/c1-5-31(6-2)19-11-12-24(18(4)13-19)32-29-22-14-17(3)21(15-23(22)30-32)28-26(33)16-34-25-10-8-7-9-20(25)27/h7-15H,5-6,16H2,1-4H3,(H,28,33)
InChIKeyFQPCDXORKKUKLE-UHFFFAOYSA-N
XLogP5.55
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.00
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-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-chloro-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]benzamide
CID 17111155
N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 17111168
N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17117403
2-cyano-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 168522648
2,2,2-trichloro-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 17111135
N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]-2-fluorobenzamide
CID 3552988
2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 112978988
N-[[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]propanamide
CID 22778161
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 23099238
5-(2,3-dichlorophenyl)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carboxamide
CID 17319015
2-(2-chlorophenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 4502278
2-chloro-N-[[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide
CID 17316815

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide (CID 17117401) is 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide is CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4Cl)cc3n2)c(C)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide?
The InChIKey is FQPCDXORKKUKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-5-31(6-2)19-11-12-24(18(4)13-19)32-29-22-14-17(3)21(15-23(22)30-32)28-26(33)16-34-25-10-8-7-9-20(25)27/h7-15H,5-6,16H2,1-4H3,(H,28,33).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide?
2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide has a molecular weight of 478.00 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide is sourced from PubChem (CID 17117401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).