2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C13H15BrN4O2 — CID 84595231

IUPAC2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(NC(=O)COc2ccccc2Br)n[nH]1
InChIInChI=1S/C13H15BrN4O2/c1-8(2)12-16-13(18-17-12)15-11(19)7-20-10-6-4-3-5-9(10)14/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyDWIUKOFSKMOREM-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.71
Rot. Bonds5

About 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 84595231) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID84595231
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(NC(=O)COc2ccccc2Br)n[nH]1
InChIInChI=1S/C13H15BrN4O2/c1-8(2)12-16-13(18-17-12)15-11(19)7-20-10-6-4-3-5-9(10)14/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyDWIUKOFSKMOREM-UHFFFAOYSA-N
XLogP2.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 91822510
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178789
2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 16518098
2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888
3-[[2-(2-bromophenoxy)acetyl]amino]butanoic acid
CID 120522773
(2R)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 95330075
2-(2-bromophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42980776
(2S)-2-methoxy-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 95330076

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 84595231) is 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide is CC(C)c1nc(NC(=O)COc2ccccc2Br)n[nH]1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is DWIUKOFSKMOREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-8(2)12-16-13(18-17-12)15-11(19)7-20-10-6-4-3-5-9(10)14/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 339.19 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 84595231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).