N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide

C12H15F2NO2 — CID 104858311

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(F)(F)CO
InChIInChI=1S/C12H15F2NO2/c1-9-4-2-3-5-10(9)6-11(17)15-7-12(13,14)8-16/h2-5,16H,6-8H2,1H3,(H,15,17)
InChIKeySNAVBFOYNZZNAM-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.28
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide (PubChem CID 104858311) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
PubChem CID104858311
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(F)(F)CO
InChIInChI=1S/C12H15F2NO2/c1-9-4-2-3-5-10(9)6-11(17)15-7-12(13,14)8-16/h2-5,16H,6-8H2,1H3,(H,15,17)
InChIKeySNAVBFOYNZZNAM-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)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-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 113462669
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
3-hydroxy-3-methyl-4-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 66002915
3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106173018
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914832
3,3,3-trifluoro-2-methyl-2-[[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 79796402
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide (CID 104858311) is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide?
The InChIKey is SNAVBFOYNZZNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-9-4-2-3-5-10(9)6-11(17)15-7-12(13,14)8-16/h2-5,16H,6-8H2,1H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide has a molecular weight of 243.25 g/mol, XLogP of 1.28, 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-methylphenyl)acetamide is sourced from PubChem (CID 104858311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).