2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

C13H15FN4O2 — CID 56760429

IUPAC2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)COc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H15FN4O2/c1-8(13-16-9(2)17-18-13)15-12(19)7-20-11-5-3-10(14)4-6-11/h3-6,8H,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyVSODHRJECJTRHF-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.51
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 56760429) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID56760429
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)COc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H15FN4O2/c1-8(13-16-9(2)17-18-13)15-12(19)7-20-11-5-3-10(14)4-6-11/h3-6,8H,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyVSODHRJECJTRHF-UHFFFAOYSA-N
XLogP1.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 56760429) is 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1nc(C(C)NC(=O)COc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is VSODHRJECJTRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-8(13-16-9(2)17-18-13)15-12(19)7-20-11-5-3-10(14)4-6-11/h3-6,8H,7H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 278.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 56760429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).