N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide

C19H16F4N4O2 — CID 15457322

IUPACN-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccccc2C(F)(F)F)c1=O)c1ccc(F)cc1
InChIInChI=1S/C19H16F4N4O2/c1-12(2)26(14-9-7-13(20)8-10-14)17(28)25-11-24-27(18(25)29)16-6-4-3-5-15(16)19(21,22)23/h3-12H,1-2H3
InChIKeyQPYQAMQZRHCNRI-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.07
Rot. Bonds3

About N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide

N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide (PubChem CID 15457322) has the molecular formula C19H16F4N4O2 and a molecular weight of 408.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide
PubChem CID15457322
Molecular FormulaC19H16F4N4O2
Molecular Weight408.36 g/mol
Exact Mass408.12
IUPAC NameN-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccccc2C(F)(F)F)c1=O)c1ccc(F)cc1
InChIInChI=1S/C19H16F4N4O2/c1-12(2)26(14-9-7-13(20)8-10-14)17(28)25-11-24-27(18(25)29)16-6-4-3-5-15(16)19(21,22)23/h3-12H,1-2H3
InChIKeyQPYQAMQZRHCNRI-UHFFFAOYSA-N
XLogP4.07
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide (CID 15457322) is N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide is CC(C)N(C(=O)n1cnn(-c2ccccc2C(F)(F)F)c1=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide?
The InChIKey is QPYQAMQZRHCNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2/c1-12(2)26(14-9-7-13(20)8-10-14)17(28)25-11-24-27(18(25)29)16-6-4-3-5-15(16)19(21,22)23/h3-12H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide?
N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide has a molecular weight of 408.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).