1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide

C16H13FN4O — CID 2137590

IUPAC1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1F
InChIInChI=1S/C16H13FN4O/c1-11-15(16(22)18-12-7-3-2-4-8-12)19-20-21(11)14-10-6-5-9-13(14)17/h2-10H,1H3,(H,18,22)
InChIKeyQEUQEXLECKYZEZ-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.97
Rot. Bonds3

About 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide

1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide (PubChem CID 2137590) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
PubChem CID2137590
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1F
InChIInChI=1S/C16H13FN4O/c1-11-15(16(22)18-12-7-3-2-4-8-12)19-20-21(11)14-10-6-5-9-13(14)17/h2-10H,1H3,(H,18,22)
InChIKeyQEUQEXLECKYZEZ-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
CID 3053676
N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 7184924
1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
CID 99696829
1-(2-bromophenyl)-5-methyl-N-(3-methylsulfanylphenyl)triazole-4-carboxamide
CID 22516280
1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide
CID 134518690
N-(3-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516202
1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 171132681
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
CID 6493785
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 15944104

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide (CID 2137590) is 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide?
The InChIKey is QEUQEXLECKYZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-11-15(16(22)18-12-7-3-2-4-8-12)19-20-21(11)14-10-6-5-9-13(14)17/h2-10H,1H3,(H,18,22).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 2137590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).