2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide

C15H12Cl2N4O — CID 7504195

IUPAC2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)Cn2nnc3ccccc32)c1Cl
InChIInChI=1S/C15H12Cl2N4O/c1-9-6-7-10(16)15(14(9)17)18-13(22)8-21-12-5-3-2-4-11(12)19-20-21/h2-7H,8H2,1H3,(H,18,22)
InChIKeyIYHSEJCACRZCDS-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.69
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide

2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide (PubChem CID 7504195) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
PubChem CID7504195
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)Cn2nnc3ccccc32)c1Cl
InChIInChI=1S/C15H12Cl2N4O/c1-9-6-7-10(16)15(14(9)17)18-13(22)8-21-12-5-3-2-4-11(12)19-20-21/h2-7H,8H2,1H3,(H,18,22)
InChIKeyIYHSEJCACRZCDS-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)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

N-(2,6-dichloro-3-methylphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755761
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
3-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2390214
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
2-(benzotriazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19408136
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide (CID 7504195) is 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide is Cc1ccc(Cl)c(NC(=O)Cn2nnc3ccccc32)c1Cl.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The InChIKey is IYHSEJCACRZCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-9-6-7-10(16)15(14(9)17)18-13(22)8-21-12-5-3-2-4-11(12)19-20-21/h2-7H,8H2,1H3,(H,18,22).
What are the key properties of 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide has a molecular weight of 335.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide is sourced from PubChem (CID 7504195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).