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

C11H7ClF4N4O2 — CID 43051698

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7ClF4N4O2/c12-6-3-5(13)1-2-7(6)22-4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21)
InChIKeyIDAPHGROEVJQSY-UHFFFAOYSA-N
MW338.65 g/mol
LogP2.63
Rot. Bonds4

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

2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 43051698) has the molecular formula C11H7ClF4N4O2 and a molecular weight of 338.65 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID43051698
Molecular FormulaC11H7ClF4N4O2
Molecular Weight338.65 g/mol
Exact Mass338.02
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7ClF4N4O2/c12-6-3-5(13)1-2-7(6)22-4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21)
InChIKeyIDAPHGROEVJQSY-UHFFFAOYSA-N
XLogP2.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.65
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 43051698) is 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(COc1ccc(F)cc1Cl)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is IDAPHGROEVJQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF4N4O2/c12-6-3-5(13)1-2-7(6)22-4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 338.65 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 43051698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).