2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide

C22H17FN4O — CID 1206496

IUPAC2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C22H17FN4O/c23-18-11-13-19(14-12-18)24-20(28)15-27-22(17-9-5-2-6-10-17)25-21(26-27)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28)
InChIKeyZNEDVUNMTAGXHV-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.39
Rot. Bonds5

About 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide

2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 1206496) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID1206496
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C22H17FN4O/c23-18-11-13-19(14-12-18)24-20(28)15-27-22(17-9-5-2-6-10-17)25-21(26-27)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28)
InChIKeyZNEDVUNMTAGXHV-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide (CID 1206496) is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide is O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is ZNEDVUNMTAGXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-18-11-13-19(14-12-18)24-20(28)15-27-22(17-9-5-2-6-10-17)25-21(26-27)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28).
What are the key properties of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide?
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 372.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1206496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).