3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide

C13H18FNO3 — CID 107698389

IUPAC3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc(F)cc1CO
InChIInChI=1S/C13H18FNO3/c1-9(2)15-13(17)5-6-18-12-4-3-11(14)7-10(12)8-16/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyKCHVBWLLMNPWMM-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.61
Rot. Bonds6

About 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide

3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 107698389) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
PubChem CID107698389
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc(F)cc1CO
InChIInChI=1S/C13H18FNO3/c1-9(2)15-13(17)5-6-18-12-4-3-11(14)7-10(12)8-16/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyKCHVBWLLMNPWMM-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

5-fluoro-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzenesulfonyl chloride
CID 82910757
3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
CID 63368106
[2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]methanol
CID 107698691
3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide
CID 62626433
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 107698300
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
CID 107698407
3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698582
3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
CID 55204374

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide (CID 107698389) is 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1ccc(F)cc1CO.
What is the InChIKey of 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is KCHVBWLLMNPWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9(2)15-13(17)5-6-18-12-4-3-11(14)7-10(12)8-16/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide?
3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide 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 3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107698389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).