2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide

C14H20FNO3 — CID 107690685

IUPAC2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(CO)cc1F
InChIInChI=1S/C14H20FNO3/c1-9(2)7-16-14(18)10(3)19-13-5-4-11(8-17)6-12(13)15/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyGBVAYLWGNLEKTE-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.86
Rot. Bonds6

About 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide

2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 107690685) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
PubChem CID107690685
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(CO)cc1F
InChIInChI=1S/C14H20FNO3/c1-9(2)7-16-14(18)10(3)19-13-5-4-11(8-17)6-12(13)15/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyGBVAYLWGNLEKTE-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 107690610
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43117629
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide
CID 63052140
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107014376
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide (CID 107690685) is 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1ccc(CO)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is GBVAYLWGNLEKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-9(2)7-16-14(18)10(3)19-13-5-4-11(8-17)6-12(13)15/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide?
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 269.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 107690685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).