N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide

C13H15F2NO3 — CID 79887944

IUPACN-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
SMILESO=C(CCOc1c(F)cc(CO)cc1F)NC1CC1
InChIInChI=1S/C13H15F2NO3/c14-10-5-8(7-17)6-11(15)13(10)19-4-3-12(18)16-9-1-2-9/h5-6,9,17H,1-4,7H2,(H,16,18)
InChIKeyYKVKUHKDUGLYGO-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.50
Rot. Bonds6

About N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide

N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide (PubChem CID 79887944) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
PubChem CID79887944
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC NameN-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
SMILESO=C(CCOc1c(F)cc(CO)cc1F)NC1CC1
InChIInChI=1S/C13H15F2NO3/c14-10-5-8(7-17)6-11(15)13(10)19-4-3-12(18)16-9-1-2-9/h5-6,9,17H,1-4,7H2,(H,16,18)
InChIKeyYKVKUHKDUGLYGO-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79888270
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62627586
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79888639
3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
CID 104831210
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 62626452
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112620994

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide (CID 79887944) is N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide is O=C(CCOc1c(F)cc(CO)cc1F)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is YKVKUHKDUGLYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c14-10-5-8(7-17)6-11(15)13(10)19-4-3-12(18)16-9-1-2-9/h5-6,9,17H,1-4,7H2,(H,16,18).
What are the key properties of N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide?
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 271.26 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 79887944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).