N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide

C12H15F2NO2 — CID 115141045

IUPACN-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
SMILESCC(O)C(=O)N(C)CCc1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO2/c1-8(16)12(17)15(2)6-5-9-7-10(13)3-4-11(9)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyFRXFAGGGNXWMFY-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.35
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide

N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide (PubChem CID 115141045) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
PubChem CID115141045
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
SMILESCC(O)C(=O)N(C)CCc1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO2/c1-8(16)12(17)15(2)6-5-9-7-10(13)3-4-11(9)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyFRXFAGGGNXWMFY-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide 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-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115173346
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020
N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159086
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137787
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141026
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195055
2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811
2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
CID 115171319
N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
CID 115191354

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide (CID 115141045) is N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide is CC(O)C(=O)N(C)CCc1cc(F)ccc1F.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The InChIKey is FRXFAGGGNXWMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8(16)12(17)15(2)6-5-9-7-10(13)3-4-11(9)14/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide?
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide has a molecular weight of 243.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115141045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).