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

C17H15FN4O2 — CID 39263320

IUPAC2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCn1cnnc1-c1cccc(NC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN4O2/c1-22-11-19-21-17(22)12-3-2-4-14(9-12)20-16(23)10-24-15-7-5-13(18)6-8-15/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyCHADDJSOJLSRDP-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.64
Rot. Bonds5

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

2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 39263320) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID39263320
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCn1cnnc1-c1cccc(NC(=O)COc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN4O2/c1-22-11-19-21-17(22)12-3-2-4-14(9-12)20-16(23)10-24-15-7-5-13(18)6-8-15/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyCHADDJSOJLSRDP-UHFFFAOYSA-N
XLogP2.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39032770
2-(4-ethylphenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 32581166
2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 31917587
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2-(4-fluorophenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 17359046
2-(4-fluorophenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38808772
4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 79204969
2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 134002158
2-(4-fluorophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 6458581
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395
4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
CID 120560585
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide (CID 39263320) is 2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide is Cn1cnnc1-c1cccc(NC(=O)COc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is CHADDJSOJLSRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-22-11-19-21-17(22)12-3-2-4-14(9-12)20-16(23)10-24-15-7-5-13(18)6-8-15/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 326.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 39263320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).