2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide

C11H11ClN4O2 — CID 86793761

IUPAC2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
SMILESCn1cnnc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C11H11ClN4O2/c1-16-7-13-15-11(16)14-10(17)6-18-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,14,15,17)
InChIKeyGOJXPHMCTBHCAK-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.49
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide

2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 86793761) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
PubChem CID86793761
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide
SMILESCn1cnnc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C11H11ClN4O2/c1-16-7-13-15-11(16)14-10(17)6-18-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,14,15,17)
InChIKeyGOJXPHMCTBHCAK-UHFFFAOYSA-N
XLogP1.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide (CID 86793761) is 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide is Cn1cnnc1NC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is GOJXPHMCTBHCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-16-7-13-15-11(16)14-10(17)6-18-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,14,15,17).
What are the key properties of 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide?
2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 266.69 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(4-methyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 86793761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).