2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide

C13H18FNO3 — CID 107698259

IUPAC2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccc(F)cc1CO
InChIInChI=1S/C13H18FNO3/c1-9(2)15(3)13(17)8-18-12-5-4-11(14)6-10(12)7-16/h4-6,9,16H,7-8H2,1-3H3
InChIKeyVKJHOQHEYJCDEA-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.56
Rot. Bonds5

About 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide

2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 107698259) 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-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID107698259
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccc(F)cc1CO
InChIInChI=1S/C13H18FNO3/c1-9(2)15(3)13(17)8-18-12-5-4-11(14)6-10(12)7-16/h4-6,9,16H,7-8H2,1-3H3
InChIKeyVKJHOQHEYJCDEA-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43259288
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 107698300
3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107698389
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63364493
2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]propanoic acid
CID 55097258
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907716
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
[2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]methanol
CID 107698691
3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698582
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide
CID 79157642
2-[2-(ethylaminomethyl)-4-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63323513

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide (CID 107698259) is 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)COc1ccc(F)cc1CO.
What is the InChIKey of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is VKJHOQHEYJCDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9(2)15(3)13(17)8-18-12-5-4-11(14)6-10(12)7-16/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 255.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 107698259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).