2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide

C12H12Cl2N4O — CID 9420775

IUPAC2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(Cl)nc2Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-7-3-8(2)5-9(4-7)15-10(19)6-18-12(14)16-11(13)17-18/h3-5H,6H2,1-2H3,(H,15,19)
InChIKeyGUTUALKZBLERFZ-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.84
Rot. Bonds3

About 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide

2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 9420775) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID9420775
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(Cl)nc2Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-7-3-8(2)5-9(4-7)15-10(19)6-18-12(14)16-11(13)17-18/h3-5H,6H2,1-2H3,(H,15,19)
InChIKeyGUTUALKZBLERFZ-UHFFFAOYSA-N
XLogP2.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)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-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
CID 9420853
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9420730
N-(3,5-dimethylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide
CID 9420079
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9421568
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 9420821
N-(3,5-dichlorophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide
CID 9420133
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-(2,5-dimethylphenyl)ethanone
CID 9420954
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
N-(3,5-dimethylphenyl)-2-(ethylamino)acetamide
CID 54820628
N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanamide
CID 50813022
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032560

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide (CID 9420775) is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cn2nc(Cl)nc2Cl)c1.
What is the InChIKey of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is GUTUALKZBLERFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-7-3-8(2)5-9(4-7)15-10(19)6-18-12(14)16-11(13)17-18/h3-5H,6H2,1-2H3,(H,15,19).
What are the key properties of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide?
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 299.16 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 9420775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).