2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C12H12F2N2O3 — CID 104857248

IUPAC2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCC(F)(F)CO
InChIInChI=1S/C12H12F2N2O3/c13-12(14,8-17)7-16-11(18)6-19-10-4-2-1-3-9(10)5-15/h1-4,17H,6-8H2,(H,16,18)
InChIKeySRMKCBIJIWYHBY-UHFFFAOYSA-N
MW270.23 g/mol
LogP0.68
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 104857248) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID104857248
Molecular FormulaC12H12F2N2O3
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCC(F)(F)CO
InChIInChI=1S/C12H12F2N2O3/c13-12(14,8-17)7-16-11(18)6-19-10-4-2-1-3-9(10)5-15/h1-4,17H,6-8H2,(H,16,18)
InChIKeySRMKCBIJIWYHBY-UHFFFAOYSA-N
XLogP0.68
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
CID 115491599
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 104858235
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343426
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 75407306
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
2-(2-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115360382
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(3-cyano-2-oxopropoxy)benzonitrile
CID 20617575
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 104857248) is 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is N#Cc1ccccc1OCC(=O)NCC(F)(F)CO.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is SRMKCBIJIWYHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-12(14,8-17)7-16-11(18)6-19-10-4-2-1-3-9(10)5-15/h1-4,17H,6-8H2,(H,16,18).
What are the key properties of 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 270.23 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 104857248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).