2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide

C11H14F2N2O2 — CID 55143423

IUPAC2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide
SMILESCC(N)(CCOc1cccc(F)c1F)C(N)=O
InChIInChI=1S/C11H14F2N2O2/c1-11(15,10(14)16)5-6-17-8-4-2-3-7(12)9(8)13/h2-4H,5-6,15H2,1H3,(H2,14,16)
InChIKeyNQHDSPBWJYFVAI-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.94
Rot. Bonds5

About 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide

2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide (PubChem CID 55143423) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide
PubChem CID55143423
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide
SMILESCC(N)(CCOc1cccc(F)c1F)C(N)=O
InChIInChI=1S/C11H14F2N2O2/c1-11(15,10(14)16)5-6-17-8-4-2-3-7(12)9(8)13/h2-4H,5-6,15H2,1H3,(H2,14,16)
InChIKeyNQHDSPBWJYFVAI-UHFFFAOYSA-N
XLogP0.94
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide?
The IUPAC name of 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide (CID 55143423) is 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide.
What is the SMILES notation for 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide?
The canonical SMILES for 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide is CC(N)(CCOc1cccc(F)c1F)C(N)=O.
What is the InChIKey of 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide?
The InChIKey is NQHDSPBWJYFVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-11(15,10(14)16)5-6-17-8-4-2-3-7(12)9(8)13/h2-4H,5-6,15H2,1H3,(H2,14,16).
What are the key properties of 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide?
2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide has a molecular weight of 244.24 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-difluorophenoxy)-2-methylbutanamide is sourced from PubChem (CID 55143423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).