2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide

C12H15F2NO3 — CID 79888347

IUPAC2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1c(F)cc(CO)cc1F
InChIInChI=1S/C12H15F2NO3/c1-7(2)15-11(17)6-18-12-9(13)3-8(5-16)4-10(12)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyBCLOEGULOADQCM-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.36
Rot. Bonds5

About 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide

2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 79888347) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID79888347
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1c(F)cc(CO)cc1F
InChIInChI=1S/C12H15F2NO3/c1-7(2)15-11(17)6-18-12-9(13)3-8(5-16)4-10(12)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyBCLOEGULOADQCM-UHFFFAOYSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-difluoro-4-(hydroxymethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 63077398
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 114234861
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide
CID 107738905
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 167446728
[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol
CID 79887877

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide (CID 79888347) is 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1c(F)cc(CO)cc1F.
What is the InChIKey of 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is BCLOEGULOADQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-7(2)15-11(17)6-18-12-9(13)3-8(5-16)4-10(12)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide?
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 259.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 79888347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).