N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide

C17H14F2N4O — CID 7184924

IUPACN-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C17H14F2N4O/c1-10-5-3-4-6-15(10)23-11(2)16(21-22-23)17(24)20-14-8-7-12(18)9-13(14)19/h3-9H,1-2H3,(H,20,24)
InChIKeyNREVPYJQYVPNLH-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.41
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide

N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide (PubChem CID 7184924) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
PubChem CID7184924
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C17H14F2N4O/c1-10-5-3-4-6-15(10)23-11(2)16(21-22-23)17(24)20-14-8-7-12(18)9-13(14)19/h3-9H,1-2H3,(H,20,24)
InChIKeyNREVPYJQYVPNLH-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(3-fluoro-4-methylphenyl)-N-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246369
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 53365971
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53333384
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9078569
N-(3-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516202
N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 167205999
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
N-(5-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 2141051
5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide
CID 166156402

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide (CID 7184924) is N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide is Cc1ccccc1-n1nnc(C(=O)Nc2ccc(F)cc2F)c1C.
What is the InChIKey of N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide?
The InChIKey is NREVPYJQYVPNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-10-5-3-4-6-15(10)23-11(2)16(21-22-23)17(24)20-14-8-7-12(18)9-13(14)19/h3-9H,1-2H3,(H,20,24).
What are the key properties of N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide?
N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 7184924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).