2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide

C18H17ClN4O — CID 9455454

IUPAC2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nn(-c3cccc(Cl)c3)nc2C)cc1
InChIInChI=1S/C18H17ClN4O/c1-12-6-8-14(9-7-12)11-20-18(24)17-13(2)21-23(22-17)16-5-3-4-15(19)10-16/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyBKLLNQMNDTZKBU-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.47
Rot. Bonds4

About 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide

2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 9455454) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID9455454
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nn(-c3cccc(Cl)c3)nc2C)cc1
InChIInChI=1S/C18H17ClN4O/c1-12-6-8-14(9-7-12)11-20-18(24)17-13(2)21-23(22-17)16-5-3-4-15(19)10-16/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyBKLLNQMNDTZKBU-UHFFFAOYSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-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-[[4-(butylcarbamoyl)phenyl]methyl]-2-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 78872472
2-(3-chlorophenyl)-5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]triazole-4-carboxamide
CID 26955251
2-(3-chlorophenyl)-5-methyl-N-prop-2-ynyltriazole-4-carboxamide
CID 30601244
2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 9404832
2-(3-chlorophenyl)-5-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 9361926
2-(3-chlorophenyl)-N-(2-ethoxyethyl)-5-methyltriazole-4-carboxamide
CID 78903143
2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 78901049
2-(3-chlorophenyl)-N,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]triazole-4-carboxamide
CID 38746531
2-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methyltriazole-4-carboxamide
CID 78867509
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
2-(3-chlorophenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 4963637
2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide
CID 87032434

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide (CID 9455454) is 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide is Cc1ccc(CNC(=O)c2nn(-c3cccc(Cl)c3)nc2C)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is BKLLNQMNDTZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-6-8-14(9-7-12)11-20-18(24)17-13(2)21-23(22-17)16-5-3-4-15(19)10-16/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 9455454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).