N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide

C17H15ClN4O2 — CID 155591167

IUPACN-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3cc(Cl)ccc3C)nn2)cc1O
InChIInChI=1S/C17H15ClN4O2/c1-10-3-5-12(18)7-14(10)19-17(24)15-9-22(21-20-15)13-6-4-11(2)16(23)8-13/h3-9,23H,1-2H3,(H,19,24)
InChIKeyISWSGZAGZGGTKY-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.50
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide

N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide (PubChem CID 155591167) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide
PubChem CID155591167
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3cc(Cl)ccc3C)nn2)cc1O
InChIInChI=1S/C17H15ClN4O2/c1-10-3-5-12(18)7-14(10)19-17(24)15-9-22(21-20-15)13-6-4-11(2)16(23)8-13/h3-9,23H,1-2H3,(H,19,24)
InChIKeyISWSGZAGZGGTKY-UHFFFAOYSA-N
XLogP3.50
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[4-[(5-chloro-2-methylphenyl)carbamoyl]triazol-1-yl]-2-fluorophenyl] N-methylcarbamate
CID 155591147
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38951839
N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38955384
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289358
N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 136929474
4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 47047464
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 119041119
N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332665
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332712

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide (CID 155591167) is N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)Nc3cc(Cl)ccc3C)nn2)cc1O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide?
The InChIKey is ISWSGZAGZGGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-10-3-5-12(18)7-14(10)19-17(24)15-9-22(21-20-15)13-6-4-11(2)16(23)8-13/h3-9,23H,1-2H3,(H,19,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 155591167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).