2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide

C21H17ClN4O — CID 1047576

IUPAC2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O/c1-14-2-9-18(10-3-14)26-24-19-11-8-17(13-20(19)25-26)23-21(27)12-15-4-6-16(22)7-5-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyKGVMCUDOFWFFQK-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.56
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide

2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide (PubChem CID 1047576) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide
PubChem CID1047576
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O/c1-14-2-9-18(10-3-14)26-24-19-11-8-17(13-20(19)25-26)23-21(27)12-15-4-6-16(22)7-5-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyKGVMCUDOFWFFQK-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-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-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-5-nitrobenzamide
CID 1372049
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 4580516
2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 4993445
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
CID 738267
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 807146
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 881898
N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]butanamide
CID 806728
2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide
CID 952244
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-3-methylbutanamide
CID 960956
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]acetamide
CID 1348154
N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)butanamide
CID 5183917
3-methyl-N-{6-methyl-2-[4-(propan-2-yl)phenyl]-2H-benzotriazol-5-yl}benzamide
CID 15987528

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide (CID 1047576) is 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide is Cc1ccc(-n2nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is KGVMCUDOFWFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-14-2-9-18(10-3-14)26-24-19-11-8-17(13-20(19)25-26)23-21(27)12-15-4-6-16(22)7-5-15/h2-11,13H,12H2,1H3,(H,23,27).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 376.85 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1047576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).