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

C13H17F2NO2 — CID 113462787

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C13H17F2NO2/c1-9-3-4-10(2)11(5-9)6-12(18)16-7-13(14,15)8-17/h3-5,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyQLDHUFYBPKHRRI-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.59
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide (PubChem CID 113462787) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide
PubChem CID113462787
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C13H17F2NO2/c1-9-3-4-10(2)11(5-9)6-12(18)16-7-13(14,15)8-17/h3-5,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyQLDHUFYBPKHRRI-UHFFFAOYSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)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-(2-methylphenyl)acetamide
CID 104858311
2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 103843830
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 107845976
N-(2-amino-2-ethylbutyl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119643056
N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 114308151
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539487
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
3-bromo-N-[(2,5-dimethylphenyl)methyl]propanamide
CID 82109130
N-[(E)-4-chlorobut-2-enyl]-2-(2,5-dimethylphenyl)acetamide
CID 81430040

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide (CID 113462787) is N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NCC(F)(F)CO)c1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is QLDHUFYBPKHRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-9-3-4-10(2)11(5-9)6-12(18)16-7-13(14,15)8-17/h3-5,17H,6-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 257.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113462787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).