2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide

C14H11BrN4O2 — CID 2216508

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nn1cnnc1
InChIInChI=1S/C14H11BrN4O2/c15-14-11-4-2-1-3-10(11)5-6-12(14)21-7-13(20)18-19-8-16-17-9-19/h1-6,8-9H,7H2,(H,18,20)
InChIKeySLXCHOZOYOBMTO-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.34
Rot. Bonds4

About 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 2216508) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID2216508
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nn1cnnc1
InChIInChI=1S/C14H11BrN4O2/c15-14-11-4-2-1-3-10(11)5-6-12(14)21-7-13(20)18-19-8-16-17-9-19/h1-6,8-9H,7H2,(H,18,20)
InChIKeySLXCHOZOYOBMTO-UHFFFAOYSA-N
XLogP2.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide (CID 2216508) is 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide is O=C(COc1ccc2ccccc2c1Br)Nn1cnnc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is SLXCHOZOYOBMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-14-11-4-2-1-3-10(11)5-6-12(14)21-7-13(20)18-19-8-16-17-9-19/h1-6,8-9H,7H2,(H,18,20).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 347.17 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 2216508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).