2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

C11H8F4N4O — CID 36579222

IUPAC2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4O/c12-7-3-1-2-6(4-7)5-8(20)16-10-17-9(18-19-10)11(13,14)15/h1-4H,5H2,(H2,16,17,18,19,20)
InChIKeyMZYUAUAJIKLZGI-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.14
Rot. Bonds3

About 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 36579222) has the molecular formula C11H8F4N4O and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID36579222
Molecular FormulaC11H8F4N4O
Molecular Weight288.20 g/mol
Exact Mass288.06
IUPAC Name2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4O/c12-7-3-1-2-6(4-7)5-8(20)16-10-17-9(18-19-10)11(13,14)15/h1-4H,5H2,(H2,16,17,18,19,20)
InChIKeyMZYUAUAJIKLZGI-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide 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 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 36579222) is 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cc1cccc(F)c1)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is MZYUAUAJIKLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4O/c12-7-3-1-2-6(4-7)5-8(20)16-10-17-9(18-19-10)11(13,14)15/h1-4H,5H2,(H2,16,17,18,19,20).
What are the key properties of 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 288.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 36579222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).