1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide

C19H17F3N4O2 — CID 134003826

IUPAC1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H17F3N4O2/c1-25(11-15-7-9-16(10-8-15)28-19(20,21)22)18(27)17-13-26(24-23-17)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChIKeyBOEYWEKIXGMMNW-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.50
Rot. Bonds6

About 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide

1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide (PubChem CID 134003826) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
PubChem CID134003826
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H17F3N4O2/c1-25(11-15-7-9-16(10-8-15)28-19(20,21)22)18(27)17-13-26(24-23-17)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChIKeyBOEYWEKIXGMMNW-UHFFFAOYSA-N
XLogP3.50
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 25368105
3-(1-benzyltriazol-4-yl)-2-[cyclopropyl-[4-(trifluoromethoxy)benzoyl]amino]-3-oxopropanoic acid
CID 150578600
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 25449687
N-[(4-chlorophenyl)methyl]-1-ethyl-N-methyltriazole-4-carboxamide
CID 138027536
N,1-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 86924886
1-benzyltriazole-4-carbonyl chloride
CID 87720228
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
CID 56905401

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide (CID 134003826) is 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is BOEYWEKIXGMMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-25(11-15-7-9-16(10-8-15)28-19(20,21)22)18(27)17-13-26(24-23-17)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 134003826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).