2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide

C11H11BrN4O2 — CID 814698

IUPAC2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESCc1ccc(OCC(=O)Nn2cnnc2)c(Br)c1
InChIInChI=1S/C11H11BrN4O2/c1-8-2-3-10(9(12)4-8)18-5-11(17)15-16-6-13-14-7-16/h2-4,6-7H,5H2,1H3,(H,15,17)
InChIKeyFLCZFVVGWSGOOB-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 814698) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID814698
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESCc1ccc(OCC(=O)Nn2cnnc2)c(Br)c1
InChIInChI=1S/C11H11BrN4O2/c1-8-2-3-10(9(12)4-8)18-5-11(17)15-16-6-13-14-7-16/h2-4,6-7H,5H2,1H3,(H,15,17)
InChIKeyFLCZFVVGWSGOOB-UHFFFAOYSA-N
XLogP1.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide (CID 814698) is 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide is Cc1ccc(OCC(=O)Nn2cnnc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is FLCZFVVGWSGOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-8-2-3-10(9(12)4-8)18-5-11(17)15-16-6-13-14-7-16/h2-4,6-7H,5H2,1H3,(H,15,17).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 311.14 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 814698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).