3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide

C12H16F2N2O — CID 104580524

IUPAC3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O/c1-12(2,6-11(15)17)16-7-8-9(13)4-3-5-10(8)14/h3-5,16H,6-7H2,1-2H3,(H2,15,17)
InChIKeyRZDWWRNNKFOCRU-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.71
Rot. Bonds5

About 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide

3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide (PubChem CID 104580524) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
PubChem CID104580524
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O/c1-12(2,6-11(15)17)16-7-8-9(13)4-3-5-10(8)14/h3-5,16H,6-7H2,1-2H3,(H2,15,17)
InChIKeyRZDWWRNNKFOCRU-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methylamino]-3-methylbutanamide
CID 104580447
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-3-methylbutanamide
CID 114142794
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
4-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylbutan-2-amine
CID 114934231
3-[(3-chlorophenyl)methylamino]-3-methylbutanamide
CID 104580168
3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
CID 103529899
N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
CID 110838253
3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide
CID 104580146
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
3-methyl-3-[(3-nitrophenyl)methylamino]butanamide
CID 113429153
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-3-methylbutanamide
CID 106096843
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide?
The IUPAC name of 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide (CID 104580524) is 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NCc1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide?
The InChIKey is RZDWWRNNKFOCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-12(2,6-11(15)17)16-7-8-9(13)4-3-5-10(8)14/h3-5,16H,6-7H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide?
3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide has a molecular weight of 242.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 104580524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).