2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide

C14H11BrN4O2 — CID 2215917

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1ncn[nH]1
InChIInChI=1S/C14H11BrN4O2/c15-13-10-4-2-1-3-9(10)5-6-11(13)21-7-12(20)18-14-16-8-17-19-14/h1-6,8H,7H2,(H2,16,17,18,19,20)
InChIKeyVXWRIMGZAXPBQV-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.74
Rot. Bonds4

About 2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 2215917) 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-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID2215917
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1ncn[nH]1
InChIInChI=1S/C14H11BrN4O2/c15-13-10-4-2-1-3-9(10)5-6-11(13)21-7-12(20)18-14-16-8-17-19-14/h1-6,8H,7H2,(H2,16,17,18,19,20)
InChIKeyVXWRIMGZAXPBQV-UHFFFAOYSA-N
XLogP2.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 1119557
2-(2-bromo-4-ethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 7375770
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(2-bromo-4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719106
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 15991434
1-(2-{2-[(1-bromo-2-naphthyl)oxy]ethoxy}ethyl)-1H-1,2,4-triazole
CID 2199831
2-(1-bromonaphthalen-2-yl)oxy-N-(1,2,4-triazol-4-yl)acetamide
CID 2216508
2-naphthalen-2-yloxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 846265
2-(2-bromo-4-propan-2-ylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 848247
2-(4-phenylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 719155
2-(4-bromo-3-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 1278249
2-(4-bromo-2,5-dimethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 1255293

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 2215917) is 2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(COc1ccc2ccccc2c1Br)Nc1ncn[nH]1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is VXWRIMGZAXPBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-13-10-4-2-1-3-9(10)5-6-11(13)21-7-12(20)18-14-16-8-17-19-14/h1-6,8H,7H2,(H2,16,17,18,19,20).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 347.17 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 2215917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).