N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide

C12H15F2NO2 — CID 115186450

IUPACN-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO2/c1-3-8(7-16)12(17)15(2)11-6-9(13)4-5-10(11)14/h4-6,8,16H,3,7H2,1-2H3
InChIKeyVFXREXAOSFFOMY-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.95
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide

N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide (PubChem CID 115186450) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide
PubChem CID115186450
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC NameN-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO2/c1-3-8(7-16)12(17)15(2)11-6-9(13)4-5-10(11)14/h4-6,8,16H,3,7H2,1-2H3
InChIKeyVFXREXAOSFFOMY-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide
CID 115187511
2-[(2,5-difluoro-N-methylanilino)methyl]butan-1-ol
CID 115250646
N-(5-bromo-2-fluorophenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188821
N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
CID 115176272
N-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188798
3-(2,5-difluoro-N-propylanilino)-2-methylpropanoic acid
CID 82317919
N-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187249
3-[2,5-difluoro-N-(3-methylbutyl)anilino]-2-methylpropanoic acid
CID 82319216
2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
CID 115186463
4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide
CID 115160992
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186430

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide (CID 115186450) is N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide is CCC(CO)C(=O)N(C)c1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide?
The InChIKey is VFXREXAOSFFOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-3-8(7-16)12(17)15(2)11-6-9(13)4-5-10(11)14/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide?
N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide has a molecular weight of 243.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide is sourced from PubChem (CID 115186450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).