N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

C19H16F4N4O — CID 56913460

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C19H16F4N4O/c1-26(10-13-6-8-15(20)9-7-13)18(28)17-12-27(25-24-17)11-14-4-2-3-5-16(14)19(21,22)23/h2-9,12H,10-11H2,1H3
InChIKeyMEZGDXXQNFQPTJ-UHFFFAOYSA-N
MW392.36 g/mol
LogP3.76
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 56913460) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID56913460
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C19H16F4N4O/c1-26(10-13-6-8-15(20)9-7-13)18(28)17-12-27(25-24-17)11-14-4-2-3-5-16(14)19(21,22)23/h2-9,12H,10-11H2,1H3
InChIKeyMEZGDXXQNFQPTJ-UHFFFAOYSA-N
XLogP3.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (CID 56913460) is N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is MEZGDXXQNFQPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c1-26(10-13-6-8-15(20)9-7-13)18(28)17-12-27(25-24-17)11-14-4-2-3-5-16(14)19(21,22)23/h2-9,12H,10-11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 56913460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).