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

C17H15FN4O3 — CID 9246413

IUPAC2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)COc3ccccc3F)n[nH]2)cc1
InChIInChI=1S/C17H15FN4O3/c1-24-12-8-6-11(7-9-12)16-20-17(22-21-16)19-15(23)10-25-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,21,22,23)
InChIKeyKQHXKKPOTMFOGU-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.64
Rot. Bonds6

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

2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 9246413) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID9246413
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)COc3ccccc3F)n[nH]2)cc1
InChIInChI=1S/C17H15FN4O3/c1-24-12-8-6-11(7-9-12)16-20-17(22-21-16)19-15(23)10-25-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,21,22,23)
InChIKeyKQHXKKPOTMFOGU-UHFFFAOYSA-N
XLogP2.64
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 9247041
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 7962741
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9246371
2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 7614464
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 29246489
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9246390
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122302986

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 9246413) is 2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide is COc1ccc(-c2nc(NC(=O)COc3ccccc3F)n[nH]2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is KQHXKKPOTMFOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-24-12-8-6-11(7-9-12)16-20-17(22-21-16)19-15(23)10-25-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 342.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 9246413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).