4-(2,3-difluorophenoxy)-2-(propylamino)butanamide

C13H18F2N2O2 — CID 55143230

IUPAC4-(2,3-difluorophenoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOc1cccc(F)c1F)C(N)=O
InChIInChI=1S/C13H18F2N2O2/c1-2-7-17-10(13(16)18)6-8-19-11-5-3-4-9(14)12(11)15/h3-5,10,17H,2,6-8H2,1H3,(H2,16,18)
InChIKeyDWSXVCSSMUADES-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.59
Rot. Bonds8

About 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide

4-(2,3-difluorophenoxy)-2-(propylamino)butanamide (PubChem CID 55143230) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)-2-(propylamino)butanamide
PubChem CID55143230
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name4-(2,3-difluorophenoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOc1cccc(F)c1F)C(N)=O
InChIInChI=1S/C13H18F2N2O2/c1-2-7-17-10(13(16)18)6-8-19-11-5-3-4-9(14)12(11)15/h3-5,10,17H,2,6-8H2,1H3,(H2,16,18)
InChIKeyDWSXVCSSMUADES-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide?
The IUPAC name of 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide (CID 55143230) is 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide?
The canonical SMILES for 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide is CCCNC(CCOc1cccc(F)c1F)C(N)=O.
What is the InChIKey of 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide?
The InChIKey is DWSXVCSSMUADES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-2-7-17-10(13(16)18)6-8-19-11-5-3-4-9(14)12(11)15/h3-5,10,17H,2,6-8H2,1H3,(H2,16,18).
What are the key properties of 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide?
4-(2,3-difluorophenoxy)-2-(propylamino)butanamide has a molecular weight of 272.29 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)-2-(propylamino)butanamide is sourced from PubChem (CID 55143230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).