2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide

C10H8ClFN4O2 — CID 2970363

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nn1cnnc1
InChIInChI=1S/C10H8ClFN4O2/c11-8-3-7(1-2-9(8)12)18-4-10(17)15-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyZAVXBZDQUYGGBT-UHFFFAOYSA-N
MW270.65 g/mol
LogP1.22
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 2970363) has the molecular formula C10H8ClFN4O2 and a molecular weight of 270.65 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID2970363
Molecular FormulaC10H8ClFN4O2
Molecular Weight270.65 g/mol
Exact Mass270.03
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nn1cnnc1
InChIInChI=1S/C10H8ClFN4O2/c11-8-3-7(1-2-9(8)12)18-4-10(17)15-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyZAVXBZDQUYGGBT-UHFFFAOYSA-N
XLogP1.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide (CID 2970363) is 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide is O=C(COc1ccc(F)c(Cl)c1)Nn1cnnc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is ZAVXBZDQUYGGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O2/c11-8-3-7(1-2-9(8)12)18-4-10(17)15-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 270.65 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 2970363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).