2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid

C21H16F3NO4 — CID 89443599

IUPAC2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid
SMILESCN(c1cc(-c2cccc(F)c2)ccc1O)c1c(F)ccc(OCC(=O)O)c1F
InChIInChI=1S/C21H16F3NO4/c1-25(21-15(23)6-8-18(20(21)24)29-11-19(27)28)16-10-13(5-7-17(16)26)12-3-2-4-14(22)9-12/h2-10,26H,11H2,1H3,(H,27,28)
InChIKeyUVABXTHMYCDRCT-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.71
Rot. Bonds6

About 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid

2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid (PubChem CID 89443599) has the molecular formula C21H16F3NO4 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid
PubChem CID89443599
Molecular FormulaC21H16F3NO4
Molecular Weight403.36 g/mol
Exact Mass403.10
IUPAC Name2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid
SMILESCN(c1cc(-c2cccc(F)c2)ccc1O)c1c(F)ccc(OCC(=O)O)c1F
InChIInChI=1S/C21H16F3NO4/c1-25(21-15(23)6-8-18(20(21)24)29-11-19(27)28)16-10-13(5-7-17(16)26)12-3-2-4-14(22)9-12/h2-10,26H,11H2,1H3,(H,27,28)
InChIKeyUVABXTHMYCDRCT-UHFFFAOYSA-N
XLogP4.71
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid 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 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid?
The IUPAC name of 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid (CID 89443599) is 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid?
The canonical SMILES for 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid is CN(c1cc(-c2cccc(F)c2)ccc1O)c1c(F)ccc(OCC(=O)O)c1F.
What is the InChIKey of 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid?
The InChIKey is UVABXTHMYCDRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO4/c1-25(21-15(23)6-8-18(20(21)24)29-11-19(27)28)16-10-13(5-7-17(16)26)12-3-2-4-14(22)9-12/h2-10,26H,11H2,1H3,(H,27,28).
What are the key properties of 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid?
2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid has a molecular weight of 403.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid is sourced from PubChem (CID 89443599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).