N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide

C13H17F2NO2 — CID 111335414

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-8(2)12(17)16-7-13(3,18)10-5-4-9(14)6-11(10)15/h4-6,8,18H,7H2,1-3H3,(H,16,17)
InChIKeyISZYXVSUYAUSQZ-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide (PubChem CID 111335414) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
PubChem CID111335414
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-8(2)12(17)16-7-13(3,18)10-5-4-9(14)6-11(10)15/h4-6,8,18H,7H2,1-3H3,(H,16,17)
InChIKeyISZYXVSUYAUSQZ-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477656
1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
CID 109491044
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 111334647
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide
CID 111335334
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide (CID 111335414) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide is CC(C)C(=O)NCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide?
The InChIKey is ISZYXVSUYAUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8(2)12(17)16-7-13(3,18)10-5-4-9(14)6-11(10)15/h4-6,8,18H,7H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide has a molecular weight of 257.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide is sourced from PubChem (CID 111335414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).