3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide

C12H15F2NO3 — CID 103208634

IUPAC3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOCC(F)F)c(O)c1
InChIInChI=1S/C12H15F2NO3/c1-8-2-3-9(10(16)6-8)15-12(17)4-5-18-7-11(13)14/h2-3,6,11,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyMRSVEDKJLKJAFL-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.31
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide

3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide (PubChem CID 103208634) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
PubChem CID103208634
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOCC(F)F)c(O)c1
InChIInChI=1S/C12H15F2NO3/c1-8-2-3-9(10(16)6-8)15-12(17)4-5-18-7-11(13)14/h2-3,6,11,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyMRSVEDKJLKJAFL-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 107697254
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 113340015
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103209921
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208294
4-chloro-2-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205775
3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide
CID 103206316
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide (CID 103208634) is 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCOCC(F)F)c(O)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide?
The InChIKey is MRSVEDKJLKJAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-8-2-3-9(10(16)6-8)15-12(17)4-5-18-7-11(13)14/h2-3,6,11,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide has a molecular weight of 259.25 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 103208634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).