N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

C19H19ClN4O — CID 8569599

IUPACN-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3ccc(Cl)cc3C)n2)c(C)c1
InChIInChI=1S/C19H19ClN4O/c1-11-5-8-17(13(3)9-11)24-22-14(4)18(23-24)19(25)21-16-7-6-15(20)10-12(16)2/h5-10H,1-4H3,(H,21,25)
InChIKeyUHRGCTLUOFOPTN-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.41
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 8569599) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID8569599
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3ccc(Cl)cc3C)n2)c(C)c1
InChIInChI=1S/C19H19ClN4O/c1-11-5-8-17(13(3)9-11)24-22-14(4)18(23-24)19(25)21-16-7-6-15(20)10-12(16)2/h5-10H,1-4H3,(H,21,25)
InChIKeyUHRGCTLUOFOPTN-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide 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-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 30847412
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 42058107
2-(2,4-dimethylphenyl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-5-methyltriazole-4-carboxamide
CID 56568386
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]-2-methylbenzoate
CID 43055005
2-(2,4-dimethylphenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
CID 46806969
methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 30847810
2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
CID 30183644
2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide
CID 27698207
2-(2,4-dimethylphenyl)-5-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]triazole-4-carboxamide
CID 55647317
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981381
N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46553835
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 8569599) is N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)Nc3ccc(Cl)cc3C)n2)c(C)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is UHRGCTLUOFOPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-11-5-8-17(13(3)9-11)24-22-14(4)18(23-24)19(25)21-16-7-6-15(20)10-12(16)2/h5-10H,1-4H3,(H,21,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 8569599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).