1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide

C18H15F3N4O2 — CID 15457293

IUPAC1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccc(F)cc2F)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H15F3N4O2/c1-11(2)24(14-6-3-12(19)4-7-14)17(26)23-10-22-25(18(23)27)16-8-5-13(20)9-15(16)21/h3-11H,1-2H3
InChIKeyHPLXOEYQXPJSQP-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.33
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide

1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (PubChem CID 15457293) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
PubChem CID15457293
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccc(F)cc2F)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H15F3N4O2/c1-11(2)24(14-6-3-12(19)4-7-14)17(26)23-10-22-25(18(23)27)16-8-5-13(20)9-15(16)21/h3-11H,1-2H3
InChIKeyHPLXOEYQXPJSQP-UHFFFAOYSA-N
XLogP3.33
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (CID 15457293) is 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is CC(C)N(C(=O)n1cnn(-c2ccc(F)cc2F)c1=O)c1ccc(F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The InChIKey is HPLXOEYQXPJSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-11(2)24(14-6-3-12(19)4-7-14)17(26)23-10-22-25(18(23)27)16-8-5-13(20)9-15(16)21/h3-11H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).