2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide

C16H23F2NO3 — CID 111485139

IUPAC2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
SMILESCC(C)CCC(C)(O)CNC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO3/c1-11(2)6-7-16(3,21)10-19-15(20)9-22-14-5-4-12(17)8-13(14)18/h4-5,8,11,21H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyUNJUCXJGQOZQAV-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.65
Rot. Bonds8

About 2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide

2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide (PubChem CID 111485139) has the molecular formula C16H23F2NO3 and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
PubChem CID111485139
Molecular FormulaC16H23F2NO3
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC Name2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
SMILESCC(C)CCC(C)(O)CNC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO3/c1-11(2)6-7-16(3,21)10-19-15(20)9-22-14-5-4-12(17)8-13(14)18/h4-5,8,11,21H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyUNJUCXJGQOZQAV-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
5-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682587
2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787292
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833775
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500952
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
3-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672095
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 107698300
5-fluoro-2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 115297841
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide (CID 111485139) is 2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide is CC(C)CCC(C)(O)CNC(=O)COc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide?
The InChIKey is UNJUCXJGQOZQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3/c1-11(2)6-7-16(3,21)10-19-15(20)9-22-14-5-4-12(17)8-13(14)18/h4-5,8,11,21H,6-7,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide?
2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide has a molecular weight of 315.36 g/mol, XLogP of 2.65, 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-(2-hydroxy-2,5-dimethylhexyl)acetamide is sourced from PubChem (CID 111485139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).