4-(3,5-difluorophenoxy)-2-(propylamino)butanamide

C13H18F2N2O2 — CID 55142624

IUPAC4-(3,5-difluorophenoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOc1cc(F)cc(F)c1)C(N)=O
InChIInChI=1S/C13H18F2N2O2/c1-2-4-17-12(13(16)18)3-5-19-11-7-9(14)6-10(15)8-11/h6-8,12,17H,2-5H2,1H3,(H2,16,18)
InChIKeyRPFOKFMZDBDGDH-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.59
Rot. Bonds8

About 4-(3,5-difluorophenoxy)-2-(propylamino)butanamide

4-(3,5-difluorophenoxy)-2-(propylamino)butanamide (PubChem CID 55142624) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-2-(propylamino)butanamide
PubChem CID55142624
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name4-(3,5-difluorophenoxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOc1cc(F)cc(F)c1)C(N)=O
InChIInChI=1S/C13H18F2N2O2/c1-2-4-17-12(13(16)18)3-5-19-11-7-9(14)6-10(15)8-11/h6-8,12,17H,2-5H2,1H3,(H2,16,18)
InChIKeyRPFOKFMZDBDGDH-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)-2-(propylamino)butanamide?
The IUPAC name of 4-(3,5-difluorophenoxy)-2-(propylamino)butanamide (CID 55142624) is 4-(3,5-difluorophenoxy)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-2-(propylamino)butanamide?
The canonical SMILES for 4-(3,5-difluorophenoxy)-2-(propylamino)butanamide is CCCNC(CCOc1cc(F)cc(F)c1)C(N)=O.
What is the InChIKey of 4-(3,5-difluorophenoxy)-2-(propylamino)butanamide?
The InChIKey is RPFOKFMZDBDGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-2-4-17-12(13(16)18)3-5-19-11-7-9(14)6-10(15)8-11/h6-8,12,17H,2-5H2,1H3,(H2,16,18).
What are the key properties of 4-(3,5-difluorophenoxy)-2-(propylamino)butanamide?
4-(3,5-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-(3,5-difluorophenoxy)-2-(propylamino)butanamide is sourced from PubChem (CID 55142624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).