N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide

C13H15F2NO3 — CID 79888650

IUPACN-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide
SMILESCN(C(=O)COc1c(F)cc(CO)cc1F)C1CC1
InChIInChI=1S/C13H15F2NO3/c1-16(9-2-3-9)12(18)7-19-13-10(14)4-8(6-17)5-11(13)15/h4-5,9,17H,2-3,6-7H2,1H3
InChIKeyFKFNJUKZKULOJJ-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.46
Rot. Bonds5

About N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide

N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide (PubChem CID 79888650) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide
PubChem CID79888650
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC NameN-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide
SMILESCN(C(=O)COc1c(F)cc(CO)cc1F)C1CC1
InChIInChI=1S/C13H15F2NO3/c1-16(9-2-3-9)12(18)7-19-13-10(14)4-8(6-17)5-11(13)15/h4-5,9,17H,2-3,6-7H2,1H3
InChIKeyFKFNJUKZKULOJJ-UHFFFAOYSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 112615213
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 107699900
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 82917950
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 65471703
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
(4-cyclopropyloxy-3,5-difluorophenyl)methanol
CID 126982122
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489590
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
CID 79888347
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide (CID 79888650) is N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide is CN(C(=O)COc1c(F)cc(CO)cc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide?
The InChIKey is FKFNJUKZKULOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-16(9-2-3-9)12(18)7-19-13-10(14)4-8(6-17)5-11(13)15/h4-5,9,17H,2-3,6-7H2,1H3.
What are the key properties of N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide?
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide has a molecular weight of 271.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 79888650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).