N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

C17H15FN4O — CID 42692651

IUPACN-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)NCc3ccccc3F)n2)cc1
InChIInChI=1S/C17H15FN4O/c1-12-6-8-14(9-7-12)22-11-20-16(21-22)17(23)19-10-13-4-2-3-5-15(13)18/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyXUDMXKLWYUGHEP-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.64
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692651) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692651
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)NCc3ccccc3F)n2)cc1
InChIInChI=1S/C17H15FN4O/c1-12-6-8-14(9-7-12)22-11-20-16(21-22)17(23)19-10-13-4-2-3-5-15(13)18/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyXUDMXKLWYUGHEP-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 686169
(E)-3-(2-fluorophenyl)-N-[(1S)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 10019891
US11059809, Example 1
CID 137367554
1-(4-Methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473223
N-[4-(4-benzyl-1-piperazinyl)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 1090691
Azepan-1-yl-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 2542208
N-(4-acetylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 2984874
N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4835789
N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 11659733
N-(4-fluorophenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15944261
N-(3-chloro-4-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990033
N-(3,5-dimethylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990151

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42692651) is N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2cnc(C(=O)NCc3ccccc3F)n2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is XUDMXKLWYUGHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-12-6-8-14(9-7-12)22-11-20-16(21-22)17(23)19-10-13-4-2-3-5-15(13)18/h2-9,11H,10H2,1H3,(H,19,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).