N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide

C13H17F2NO3 — CID 103770426

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCC(O)C(F)F)c1
InChIInChI=1S/C13H17F2NO3/c1-8-3-9(2)5-10(4-8)19-7-12(18)16-6-11(17)13(14)15/h3-5,11,13,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyNMSOPMPPPLGNPF-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.42
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide

N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 103770426) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID103770426
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCC(O)C(F)F)c1
InChIInChI=1S/C13H17F2NO3/c1-8-3-9(2)5-10(4-8)19-7-12(18)16-6-11(17)13(14)15/h3-5,11,13,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyNMSOPMPPPLGNPF-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)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

2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 103770190
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726206
N-(3,3-difluoro-2-hydroxypropyl)-2,4,6-trimethylbenzamide
CID 103867078
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 26819079
N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
CID 113258582
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 16931215

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide (CID 103770426) is N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)NCC(O)C(F)F)c1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is NMSOPMPPPLGNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-8-3-9(2)5-10(4-8)19-7-12(18)16-6-11(17)13(14)15/h3-5,11,13,17H,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 273.28 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 103770426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).