4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide

C12H16F2N2O2 — CID 55112097

IUPAC4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide
SMILESCNC(C)(CCOc1cc(F)cc(F)c1)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-12(16-2,11(15)17)3-4-18-10-6-8(13)5-9(14)7-10/h5-7,16H,3-4H2,1-2H3,(H2,15,17)
InChIKeyKVIBVAHHJHIZPZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.20
Rot. Bonds6

About 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide

4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide (PubChem CID 55112097) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide
PubChem CID55112097
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide
SMILESCNC(C)(CCOc1cc(F)cc(F)c1)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-12(16-2,11(15)17)3-4-18-10-6-8(13)5-9(14)7-10/h5-7,16H,3-4H2,1-2H3,(H2,15,17)
InChIKeyKVIBVAHHJHIZPZ-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide?
The IUPAC name of 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide (CID 55112097) is 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide?
The canonical SMILES for 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide is CNC(C)(CCOc1cc(F)cc(F)c1)C(N)=O.
What is the InChIKey of 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide?
The InChIKey is KVIBVAHHJHIZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-12(16-2,11(15)17)3-4-18-10-6-8(13)5-9(14)7-10/h5-7,16H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide?
4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide has a molecular weight of 258.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 55112097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).