1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide

C19H17F3N4O — CID 24633183

IUPAC1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)16-8-6-14(7-9-16)10-11-23-18(27)17-13-26(25-24-17)12-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,23,27)
InChIKeyACTZUQFSWZKXSQ-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.32
Rot. Bonds6

About 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide

1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide (PubChem CID 24633183) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
PubChem CID24633183
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)16-8-6-14(7-9-16)10-11-23-18(27)17-13-26(25-24-17)12-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,23,27)
InChIKeyACTZUQFSWZKXSQ-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 134046082
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
CID 42465768
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide
CID 37089479
1-(2,2-diethoxyethyl)-N-(2-phenylethyl)triazole-4-carboxamide
CID 47089082
N-(pyridin-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42292618
1-benzyltriazole-4-carbonyl chloride
CID 87720228
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 45173316
1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 91239685
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 31760548
1-benzyl-N-[4-bromo-3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 24620815

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide (CID 24633183) is 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide?
The InChIKey is ACTZUQFSWZKXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)16-8-6-14(7-9-16)10-11-23-18(27)17-13-26(25-24-17)12-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,23,27).
What are the key properties of 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide?
1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 24633183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).