N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide

C17H15ClN4O2 — CID 51174918

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN4O2/c1-11-8-14(16(24-2)9-13(11)18)20-17(23)15-10-19-22(21-15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,23)
InChIKeyANUYANSQTGOAMZ-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.49
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide (PubChem CID 51174918) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide
PubChem CID51174918
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN4O2/c1-11-8-14(16(24-2)9-13(11)18)20-17(23)15-10-19-22(21-15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,23)
InChIKeyANUYANSQTGOAMZ-UHFFFAOYSA-N
XLogP3.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17418781
N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 154839957
methyl 2-chloro-5-[(2-phenyltriazole-4-carbonyl)amino]benzoate
CID 134003458
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide
CID 46416423
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide (CID 51174918) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is ANUYANSQTGOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-11-8-14(16(24-2)9-13(11)18)20-17(23)15-10-19-22(21-15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 51174918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).