N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide

C12H15F2NO3 — CID 103099351

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)NCCOCC(F)F
InChIInChI=1S/C12H15F2NO3/c13-11(14)8-18-6-5-15-12(17)7-9-3-1-2-4-10(9)16/h1-4,11,16H,5-8H2,(H,15,17)
InChIKeyRUPKRTMQUZOBHM-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.33
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide

N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 103099351) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID103099351
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)NCCOCC(F)F
InChIInChI=1S/C12H15F2NO3/c13-11(14)8-18-6-5-15-12(17)7-9-3-1-2-4-10(9)16/h1-4,11,16H,5-8H2,(H,15,17)
InChIKeyRUPKRTMQUZOBHM-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide
CID 114126710
N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 114297434
N-[2-(2,2-difluoroethoxy)ethyl]-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 103082307
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097013
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097023
N-[2-(carbamoylamino)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78994089
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide
CID 103082376
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide (CID 103099351) is N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide is O=C(Cc1ccccc1O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is RUPKRTMQUZOBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c13-11(14)8-18-6-5-15-12(17)7-9-3-1-2-4-10(9)16/h1-4,11,16H,5-8H2,(H,15,17).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 259.25 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 103099351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).