N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide

C13H15F2NO2 — CID 110865266

IUPACN-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1c(F)cccc1F
InChIInChI=1S/C13H15F2NO2/c14-10-4-1-5-11(15)13(10)16-12(17)7-9-3-2-6-18-8-9/h1,4-5,9H,2-3,6-8H2,(H,16,17)
InChIKeyWUPHILCKIBNHON-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.72
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide

N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide (PubChem CID 110865266) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
PubChem CID110865266
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC NameN-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1c(F)cccc1F
InChIInChI=1S/C13H15F2NO2/c14-10-4-1-5-11(15)13(10)16-12(17)7-9-3-2-6-18-8-9/h1,4-5,9H,2-3,6-8H2,(H,16,17)
InChIKeyWUPHILCKIBNHON-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide (CID 110865266) is N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide is O=C(CC1CCCOC1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide?
The InChIKey is WUPHILCKIBNHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-10-4-1-5-11(15)13(10)16-12(17)7-9-3-2-6-18-8-9/h1,4-5,9H,2-3,6-8H2,(H,16,17).
What are the key properties of N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide?
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide has a molecular weight of 255.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 110865266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).