1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide

C19H18F2N4O — CID 56885967

IUPAC1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C19H18F2N4O/c1-24(11-10-14-6-3-2-4-7-14)19(26)18-13-25(23-22-18)12-15-16(20)8-5-9-17(15)21/h2-9,13H,10-12H2,1H3
InChIKeyIZVHDLYTLGUOLL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.92
Rot. Bonds6

About 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide

1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 56885967) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide
PubChem CID56885967
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C19H18F2N4O/c1-24(11-10-14-6-3-2-4-7-14)19(26)18-13-25(23-22-18)12-15-16(20)8-5-9-17(15)21/h2-9,13H,10-12H2,1H3
InChIKeyIZVHDLYTLGUOLL-UHFFFAOYSA-N
XLogP2.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyltriazole-4-carboxamide
CID 25461271
1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 25277558
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 25449687
methyl (2S)-2-[[1-[(2,6-difluorophenyl)methyl]triazole-4-carbonyl]amino]-3-phenylpropanoate
CID 42557640
1-[(2-fluoro-6-methylphenyl)methyl]triazole-4-carboxamide
CID 90142504
1-[(2-chloro-6-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 21282641
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 120885038
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
N-(3-amino-2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide;hydrochloride
CID 119654212
1-benzyltriazole-4-carbonyl chloride
CID 87720228

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide (CID 56885967) is 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide is CN(CCc1ccccc1)C(=O)c1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is IZVHDLYTLGUOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-24(11-10-14-6-3-2-4-7-14)19(26)18-13-25(23-22-18)12-15-16(20)8-5-9-17(15)21/h2-9,13H,10-12H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide?
1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 56885967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).