2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide

C14H15F3N2O2 — CID 115491599

IUPAC2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)7-3-4-8-19-13(20)10-21-12-6-2-1-5-11(12)9-18/h1-2,5-6H,3-4,7-8,10H2,(H,19,20)
InChIKeyYIAYDYYLQLFNHL-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.79
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide

2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide (PubChem CID 115491599) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
PubChem CID115491599
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)7-3-4-8-19-13(20)10-21-12-6-2-1-5-11(12)9-18/h1-2,5-6H,3-4,7-8,10H2,(H,19,20)
InChIKeyYIAYDYYLQLFNHL-UHFFFAOYSA-N
XLogP2.79
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857248
2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343426
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 51287827
2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 51195284
2-(2-cyanophenoxy)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737425
2-(2-cyanophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2714604
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide (CID 115491599) is 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide is N#Cc1ccccc1OCC(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide?
The InChIKey is YIAYDYYLQLFNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)7-3-4-8-19-13(20)10-21-12-6-2-1-5-11(12)9-18/h1-2,5-6H,3-4,7-8,10H2,(H,19,20).
What are the key properties of 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide?
2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide has a molecular weight of 300.28 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide is sourced from PubChem (CID 115491599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).