2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid

C24H23F2NO3 — CID 89443554

IUPAC2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid
SMILESCc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1F
InChIInChI=1S/C24H23F2NO3/c1-14-7-8-21(30-13-22(28)29)16(3)24(14)27-12-19-10-18(9-15(2)23(19)26)17-5-4-6-20(25)11-17/h4-11,27H,12-13H2,1-3H3,(H,28,29)
InChIKeyVUBLENMWXNJCFL-UHFFFAOYSA-N
MW411.45 g/mol
LogP5.63
Rot. Bonds7

About 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid

2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid (PubChem CID 89443554) has the molecular formula C24H23F2NO3 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid
PubChem CID89443554
Molecular FormulaC24H23F2NO3
Molecular Weight411.45 g/mol
Exact Mass411.16
IUPAC Name2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid
SMILESCc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1F
InChIInChI=1S/C24H23F2NO3/c1-14-7-8-21(30-13-22(28)29)16(3)24(14)27-12-19-10-18(9-15(2)23(19)26)17-5-4-6-20(25)11-17/h4-11,27H,12-13H2,1-3H3,(H,28,29)
InChIKeyVUBLENMWXNJCFL-UHFFFAOYSA-N
XLogP5.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]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-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid (CID 89443554) is 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid is Cc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1F.
What is the InChIKey of 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid?
The InChIKey is VUBLENMWXNJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3/c1-14-7-8-21(30-13-22(28)29)16(3)24(14)27-12-19-10-18(9-15(2)23(19)26)17-5-4-6-20(25)11-17/h4-11,27H,12-13H2,1-3H3,(H,28,29).
What are the key properties of 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid?
2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid has a molecular weight of 411.45 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]methylamino]-2,4-dimethylphenoxy]acetic acid is sourced from PubChem (CID 89443554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).