5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid

C20H23F2NO4 — CID 142263954

IUPAC5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid
SMILESO=C(O)CCCCNCCCOc1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H23F2NO4/c21-15-5-10-19(18(22)14-15)27-17-8-6-16(7-9-17)26-13-3-12-23-11-2-1-4-20(24)25/h5-10,14,23H,1-4,11-13H2,(H,24,25)
InChIKeyHUEVZXFSRWAZJZ-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.37
Rot. Bonds12

About 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid

5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid (PubChem CID 142263954) has the molecular formula C20H23F2NO4 and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid.

Molecular Properties

Compound Name5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid
PubChem CID142263954
Molecular FormulaC20H23F2NO4
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid
SMILESO=C(O)CCCCNCCCOc1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H23F2NO4/c21-15-5-10-19(18(22)14-15)27-17-8-6-16(7-9-17)26-13-3-12-23-11-2-1-4-20(24)25/h5-10,14,23H,1-4,11-13H2,(H,24,25)
InChIKeyHUEVZXFSRWAZJZ-UHFFFAOYSA-N
XLogP4.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid?
The IUPAC name of 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid (CID 142263954) is 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid.
What is the SMILES notation for 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid?
The canonical SMILES for 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid is O=C(O)CCCCNCCCOc1ccc(Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid?
The InChIKey is HUEVZXFSRWAZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO4/c21-15-5-10-19(18(22)14-15)27-17-8-6-16(7-9-17)26-13-3-12-23-11-2-1-4-20(24)25/h5-10,14,23H,1-4,11-13H2,(H,24,25).
What are the key properties of 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid?
5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid has a molecular weight of 379.40 g/mol, XLogP of 4.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2,4-difluorophenoxy)phenoxy]propylamino]pentanoic acid is sourced from PubChem (CID 142263954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).