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

C18H17FN4O3 — CID 9246888

IUPAC2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN4O3/c1-2-25-14-5-3-4-6-15(14)26-11-16(24)20-18-21-17(22-23-18)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H2,20,21,22,23,24)
InChIKeyCXCNERYDOYDYPT-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.03
Rot. Bonds7

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

2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 9246888) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID9246888
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN4O3/c1-2-25-14-5-3-4-6-15(14)26-11-16(24)20-18-21-17(22-23-18)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H2,20,21,22,23,24)
InChIKeyCXCNERYDOYDYPT-UHFFFAOYSA-N
XLogP3.03
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
2-(2-ethoxyphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9094333
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
N-[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2,2-dimethylpropanamide
CID 58561988
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide
CID 71847066
N-(2-bromo-4,6-difluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2471730
2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246817

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 9246888) is 2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide is CCOc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CXCNERYDOYDYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-2-25-14-5-3-4-6-15(14)26-11-16(24)20-18-21-17(22-23-18)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 356.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 9246888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).