1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide

C17H15FN4O — CID 18152232

IUPAC1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)c(F)c1
InChIInChI=1S/C17H15FN4O/c1-12-7-8-15(14(18)9-12)19-17(23)16-11-22(21-20-16)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyFSDFHKXJFYLDEZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.03
Rot. Bonds4

About 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide

1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide (PubChem CID 18152232) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
PubChem CID18152232
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)c(F)c1
InChIInChI=1S/C17H15FN4O/c1-12-7-8-15(14(18)9-12)19-17(23)16-11-22(21-20-16)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyFSDFHKXJFYLDEZ-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
1-benzyl-N-(4-chloro-2-fluorophenyl)triazole-4-carboxamide
CID 18152200
1-benzyl-N-(2,5-dichlorophenyl)triazole-4-carboxamide
CID 31701106
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607
1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide
CID 18152774
1-benzyl-N-(3-chloro-4-fluorophenyl)triazole-4-carboxamide
CID 18146618
methyl 1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241395
1-benzyl-N-[(1S)-1-(3,4-difluorophenyl)ethyl]triazole-4-carboxamide
CID 51646685
1-benzyl-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]triazole-4-carboxamide
CID 31858779
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 18152907
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53135615

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide (CID 18152232) is 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide is Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)c(F)c1.
What is the InChIKey of 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide?
The InChIKey is FSDFHKXJFYLDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-12-7-8-15(14(18)9-12)19-17(23)16-11-22(21-20-16)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,23).
What are the key properties of 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide?
1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 18152232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).