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

C18H16F2N4O2 — CID 15457292

IUPAC1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccccc2F)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N4O2/c1-12(2)23(14-9-7-13(19)8-10-14)17(25)22-11-21-24(18(22)26)16-6-4-3-5-15(16)20/h3-12H,1-2H3
InChIKeyAQWKBHLGIKNCNF-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.20
Rot. Bonds3

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

1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (PubChem CID 15457292) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
PubChem CID15457292
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
SMILESCC(C)N(C(=O)n1cnn(-c2ccccc2F)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N4O2/c1-12(2)23(14-9-7-13(19)8-10-14)17(25)22-11-21-24(18(22)26)16-6-4-3-5-15(16)20/h3-12H,1-2H3
InChIKeyAQWKBHLGIKNCNF-UHFFFAOYSA-N
XLogP3.20
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide (CID 15457292) is 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is CC(C)N(C(=O)n1cnn(-c2ccccc2F)c1=O)c1ccc(F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
The InChIKey is AQWKBHLGIKNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-12(2)23(14-9-7-13(19)8-10-14)17(25)22-11-21-24(18(22)26)16-6-4-3-5-15(16)20/h3-12H,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide?
1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(4-fluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 15457292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).