4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid

C26H26FNO4 — CID 129147458

IUPAC4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(NC2(C(=O)O)Cc3cccc(F)c3C2)cc1OCCc1cccc(C)c1
InChIInChI=1S/C26H26FNO4/c1-17-5-3-6-18(13-17)11-12-32-24-14-20(9-10-23(24)31-2)28-26(25(29)30)15-19-7-4-8-22(27)21(19)16-26/h3-10,13-14,28H,11-12,15-16H2,1-2H3,(H,29,30)
InChIKeyXZTYVHLEHRMNAW-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.80
Rot. Bonds8

About 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid

4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 129147458) has the molecular formula C26H26FNO4 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID129147458
Molecular FormulaC26H26FNO4
Molecular Weight435.50 g/mol
Exact Mass435.18
IUPAC Name4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(NC2(C(=O)O)Cc3cccc(F)c3C2)cc1OCCc1cccc(C)c1
InChIInChI=1S/C26H26FNO4/c1-17-5-3-6-18(13-17)11-12-32-24-14-20(9-10-23(24)31-2)28-26(25(29)30)15-19-7-4-8-22(27)21(19)16-26/h3-10,13-14,28H,11-12,15-16H2,1-2H3,(H,29,30)
InChIKeyXZTYVHLEHRMNAW-UHFFFAOYSA-N
XLogP4.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-Fluoro-4-methoxy-5-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid
CID 129146964
2-[3-[2-(2-Fluorophenyl)-2-hydroxyethoxy]-4-methoxyanilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147002
2-[3-[2-(5-Chloro-2-fluorophenyl)ethoxy]-4-methoxyanilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147246
2-[3-(2,2-Difluoro-2-phenylethoxy)-4-methoxyanilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147250
2-[2-Fluoro-4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147254
2-[3-[2-(2-Fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147359
2-[3-Ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147371
2-[3-[2-(3-Methylphenyl)ethoxy]-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147448
2-[3-Ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde
CID 143888564
Formaldehyde;2-[3-[2-(3-methylphenyl)ethoxy]-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid
CID 143888589
ethyl (2R,3S)-3-(4-fluorophenyl)-3-(4-methoxyanilino)-6-methyl-1,2-dihydroindene-2-carboxylate
CID 122219307
4-(Fluoromethyl)-1-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]cyclohexane-1-carboxylic acid
CID 144180575

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid (CID 129147458) is 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid is COc1ccc(NC2(C(=O)O)Cc3cccc(F)c3C2)cc1OCCc1cccc(C)c1.
What is the InChIKey of 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is XZTYVHLEHRMNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO4/c1-17-5-3-6-18(13-17)11-12-32-24-14-20(9-10-23(24)31-2)28-26(25(29)30)15-19-7-4-8-22(27)21(19)16-26/h3-10,13-14,28H,11-12,15-16H2,1-2H3,(H,29,30).
What are the key properties of 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid?
4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 435.50 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 129147458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).