2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide

C13H18FNO3 — CID 107698502

IUPAC2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(F)cc1CO
InChIInChI=1S/C13H18FNO3/c1-3-6-15-13(17)9(2)18-12-5-4-11(14)7-10(12)8-16/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,15,17)
InChIKeyXDENAKJFTXNHLD-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.61
Rot. Bonds6

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

2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide (PubChem CID 107698502) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
PubChem CID107698502
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(F)cc1CO
InChIInChI=1S/C13H18FNO3/c1-3-6-15-13(17)9(2)18-12-5-4-11(14)7-10(12)8-16/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,15,17)
InChIKeyXDENAKJFTXNHLD-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
CID 107695175
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 107695888
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide
CID 112699627
3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698582
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
CID 81495069
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43088984

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide?
The IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide (CID 107698502) is 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(F)cc1CO.
What is the InChIKey of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide?
The InChIKey is XDENAKJFTXNHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-3-6-15-13(17)9(2)18-12-5-4-11(14)7-10(12)8-16/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,15,17).
What are the key properties of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide?
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide has a molecular weight of 255.29 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide is sourced from PubChem (CID 107698502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).