1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C19H13ClF3N7O — CID 146075463

IUPAC1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)nnn1-c1ccccc1Cl
InChIInChI=1S/C19H13ClF3N7O/c1-11-17(27-28-29(11)16-5-3-2-4-14(16)20)18(31)26-15-7-6-12(30-24-8-9-25-30)10-13(15)19(21,22)23/h2-10H,1H3,(H,26,31)
InChIKeyZIAXGRGEOSMKLW-UHFFFAOYSA-N
MW447.81 g/mol
LogP4.08
Rot. Bonds4

About 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide

1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 146075463) has the molecular formula C19H13ClF3N7O and a molecular weight of 447.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID146075463
Molecular FormulaC19H13ClF3N7O
Molecular Weight447.81 g/mol
Exact Mass447.08
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)nnn1-c1ccccc1Cl
InChIInChI=1S/C19H13ClF3N7O/c1-11-17(27-28-29(11)16-5-3-2-4-14(16)20)18(31)26-15-7-6-12(30-24-8-9-25-30)10-13(15)19(21,22)23/h2-10H,1H3,(H,26,31)
InChIKeyZIAXGRGEOSMKLW-UHFFFAOYSA-N
XLogP4.08
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
CID 56825593
N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 7184924
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
CID 6493785
1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 16649119
1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16652149
ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 9152359
1-(2-chlorophenyl)-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
CID 86888977
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112822144
5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 17015713
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 7184539

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 146075463) is 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is ZIAXGRGEOSMKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N7O/c1-11-17(27-28-29(11)16-5-3-2-4-14(16)20)18(31)26-15-7-6-12(30-24-8-9-25-30)10-13(15)19(21,22)23/h2-10H,1H3,(H,26,31).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 447.81 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 146075463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).