N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide

C13H17F2NO3 — CID 104857091

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NCC(F)(F)CO)cc1
InChIInChI=1S/C13H17F2NO3/c1-2-10-3-5-11(6-4-10)19-7-12(18)16-8-13(14,15)9-17/h3-6,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyCKHFSZKXKCORAZ-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.37
Rot. Bonds7

About N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide (PubChem CID 104857091) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
PubChem CID104857091
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NCC(F)(F)CO)cc1
InChIInChI=1S/C13H17F2NO3/c1-2-10-3-5-11(6-4-10)19-7-12(18)16-8-13(14,15)9-17/h3-6,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyCKHFSZKXKCORAZ-UHFFFAOYSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide
CID 104857620
2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 112776801
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 103770190
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethylphenoxy)acetamide
CID 82354507
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide (CID 104857091) is N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NCC(F)(F)CO)cc1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is CKHFSZKXKCORAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-2-10-3-5-11(6-4-10)19-7-12(18)16-8-13(14,15)9-17/h3-6,17H,2,7-9H2,1H3,(H,16,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 273.28 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 104857091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).