1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide

C18H16Cl2N4O — CID 18152841

IUPAC1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H16Cl2N4O/c1-23(10-14-7-8-15(19)16(20)9-14)18(25)17-12-24(22-21-17)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3
InChIKeyCXWLISNMHKXFGQ-UHFFFAOYSA-N
MW375.26 g/mol
LogP3.91
Rot. Bonds5

About 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide

1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide (PubChem CID 18152841) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
PubChem CID18152841
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H16Cl2N4O/c1-23(10-14-7-8-15(19)16(20)9-14)18(25)17-12-24(22-21-17)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3
InChIKeyCXWLISNMHKXFGQ-UHFFFAOYSA-N
XLogP3.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-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

1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
N-[(4-chlorophenyl)methyl]-1-ethyl-N-methyltriazole-4-carboxamide
CID 138027536
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 25449687
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
CID 56905401
1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide
CID 51100081
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]triazole-4-carboxamide
CID 56900034
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
1-benzyl-N-(2,5-dichlorophenyl)triazole-4-carboxamide
CID 31701106
1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide
CID 56885967

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide (CID 18152841) is 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is CXWLISNMHKXFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-23(10-14-7-8-15(19)16(20)9-14)18(25)17-12-24(22-21-17)11-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide?
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 18152841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).