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

C12H16F2N2O2 — CID 55143968

IUPAC4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide
SMILESCCNC(CCOc1ccc(F)c(F)c1)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-2-16-11(12(15)17)5-6-18-8-3-4-9(13)10(14)7-8/h3-4,7,11,16H,2,5-6H2,1H3,(H2,15,17)
InChIKeyXMOURSBSVXFPJE-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.20
Rot. Bonds7

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

4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide (PubChem CID 55143968) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide
PubChem CID55143968
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide
SMILESCCNC(CCOc1ccc(F)c(F)c1)C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-2-16-11(12(15)17)5-6-18-8-3-4-9(13)10(14)7-8/h3-4,7,11,16H,2,5-6H2,1H3,(H2,15,17)
InChIKeyXMOURSBSVXFPJE-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 4-(3,4-difluorophenoxy)-2-(ethylamino)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-(3,4-difluorophenoxy)-2-(ethylamino)butanamide?
The IUPAC name of 4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide (CID 55143968) is 4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide?
The canonical SMILES for 4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide is CCNC(CCOc1ccc(F)c(F)c1)C(N)=O.
What is the InChIKey of 4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide?
The InChIKey is XMOURSBSVXFPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-2-16-11(12(15)17)5-6-18-8-3-4-9(13)10(14)7-8/h3-4,7,11,16H,2,5-6H2,1H3,(H2,15,17).
What are the key properties of 4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide?
4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide has a molecular weight of 258.27 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-2-(ethylamino)butanamide is sourced from PubChem (CID 55143968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).