N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide

C14H19F2NO3 — CID 104858235

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCC(F)(F)CO
InChIInChI=1S/C14H19F2NO3/c1-10(2)11-5-3-4-6-12(11)20-7-13(19)17-8-14(15,16)9-18/h3-6,10,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyZQPKSRVYAYAOCA-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.93
Rot. Bonds7

About N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 104858235) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID104858235
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCC(F)(F)CO
InChIInChI=1S/C14H19F2NO3/c1-10(2)11-5-3-4-6-12(11)20-7-13(19)17-8-14(15,16)9-18/h3-6,10,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyZQPKSRVYAYAOCA-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)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-(2,3-dihydroxy-2-methylpropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 66170658
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857248
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 114750966

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 104858235) is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is ZQPKSRVYAYAOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-10(2)11-5-3-4-6-12(11)20-7-13(19)17-8-14(15,16)9-18/h3-6,10,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 287.31 g/mol, XLogP of 1.93, 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-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 104858235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).