5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid

C25H22F3NO5 — CID 2812813

IUPAC5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CC(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C25H22F3NO5/c1-33-19-8-10-20(11-9-19)34-22-12-7-18(25(26,27)28)15-21(22)29-23(30)13-17(14-24(31)32)16-5-3-2-4-6-16/h2-12,15,17H,13-14H2,1H3,(H,29,30)(H,31,32)
InChIKeyUMUXAMJXLBOQNN-UHFFFAOYSA-N
MW473.45 g/mol
LogP6.09
Rot. Bonds9

About 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid

5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid (PubChem CID 2812813) has the molecular formula C25H22F3NO5 and a molecular weight of 473.45 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid
PubChem CID2812813
Molecular FormulaC25H22F3NO5
Molecular Weight473.45 g/mol
Exact Mass473.15
IUPAC Name5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CC(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C25H22F3NO5/c1-33-19-8-10-20(11-9-19)34-22-12-7-18(25(26,27)28)15-21(22)29-23(30)13-17(14-24(31)32)16-5-3-2-4-6-16/h2-12,15,17H,13-14H2,1H3,(H,29,30)(H,31,32)
InChIKeyUMUXAMJXLBOQNN-UHFFFAOYSA-N
XLogP6.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.45
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic 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 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid (CID 2812813) is 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid is COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CC(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid?
The InChIKey is UMUXAMJXLBOQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO5/c1-33-19-8-10-20(11-9-19)34-22-12-7-18(25(26,27)28)15-21(22)29-23(30)13-17(14-24(31)32)16-5-3-2-4-6-16/h2-12,15,17H,13-14H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid?
5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid has a molecular weight of 473.45 g/mol, XLogP of 6.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 2812813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).