2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide

C15H22FNO3 — CID 115956348

IUPAC2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1c(F)cccc1CO
InChIInChI=1S/C15H22FNO3/c1-10(2)7-8-17-15(19)11(3)20-14-12(9-18)5-4-6-13(14)16/h4-6,10-11,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyIIHNBZHRTSWSGF-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.25
Rot. Bonds7

About 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide

2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide (PubChem CID 115956348) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
PubChem CID115956348
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1c(F)cccc1CO
InChIInChI=1S/C15H22FNO3/c1-10(2)7-8-17-15(19)11(3)20-14-12(9-18)5-4-6-13(14)16/h4-6,10-11,18H,7-9H2,1-3H3,(H,17,19)
InChIKeyIIHNBZHRTSWSGF-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 107690610
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
3-bromo-2-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61391816
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide (CID 115956348) is 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1c(F)cccc1CO.
What is the InChIKey of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide?
The InChIKey is IIHNBZHRTSWSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-10(2)7-8-17-15(19)11(3)20-14-12(9-18)5-4-6-13(14)16/h4-6,10-11,18H,7-9H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide?
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide has a molecular weight of 283.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 115956348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).