2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide

C13H17F2NO3 — CID 107318520

IUPAC2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
SMILESO=C(COc1ccc(F)cc1F)NCCCCCO
InChIInChI=1S/C13H17F2NO3/c14-10-4-5-12(11(15)8-10)19-9-13(18)16-6-2-1-3-7-17/h4-5,8,17H,1-3,6-7,9H2,(H,16,18)
InChIKeyGIWHDBBYHOIWPX-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.62
Rot. Bonds8

About 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide

2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide (PubChem CID 107318520) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
PubChem CID107318520
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
SMILESO=C(COc1ccc(F)cc1F)NCCCCCO
InChIInChI=1S/C13H17F2NO3/c14-10-4-5-12(11(15)8-10)19-9-13(18)16-6-2-1-3-7-17/h4-5,8,17H,1-3,6-7,9H2,(H,16,18)
InChIKeyGIWHDBBYHOIWPX-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.62
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

3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
5-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682587
N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 106843375
2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391828
(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate
CID 116819702
2-(2,4-difluorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 31971931
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 119619857
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833775
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide (CID 107318520) is 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide is O=C(COc1ccc(F)cc1F)NCCCCCO.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide?
The InChIKey is GIWHDBBYHOIWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c14-10-4-5-12(11(15)8-10)19-9-13(18)16-6-2-1-3-7-17/h4-5,8,17H,1-3,6-7,9H2,(H,16,18).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide?
2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide has a molecular weight of 273.28 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide is sourced from PubChem (CID 107318520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).