N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide

C17H15ClN4O — CID 177374298

IUPACN-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H15ClN4O/c18-15-9-5-4-6-13(15)10-11-19-17(23)16-12-22(21-20-16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23)
InChIKeyGTFFENXGBPVGOQ-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide

N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide (PubChem CID 177374298) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide
PubChem CID177374298
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H15ClN4O/c18-15-9-5-4-6-13(15)10-11-19-17(23)16-12-22(21-20-16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23)
InChIKeyGTFFENXGBPVGOQ-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-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

[(1R)-1-[(1-benzyltriazole-4-carbonyl)amino]-2-(4-chlorophenyl)ethyl]boronic acid
CID 155540444
[(1R)-2-(4-chlorophenyl)-1-[(1-phenyltriazole-4-carbonyl)amino]ethyl]boronic acid
CID 155552083
N-(2-chlorobenzyl)-2-pyrazinecarboxamide
CID 5042461
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 644529
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 649335
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamide
CID 650744
N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 2150362
N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 127396636
1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 162661301
N-((1-benzylpiperidin-4-yl)methyl)-1-(2-chlorobenzyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 42288352
1-benzyl-N-phenyltriazole-4-carboxamide
CID 16063411
Methyl-1H-[1,2,3]triazole-4-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide
CID 71217351

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide (CID 177374298) is N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide is O=C(NCCc1ccccc1Cl)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is GTFFENXGBPVGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-15-9-5-4-6-13(15)10-11-19-17(23)16-12-22(21-20-16)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 177374298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).