2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid

C25H24FNO3 — CID 129147359

IUPAC2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1ccccc1F
InChIInChI=1S/C25H24FNO3/c1-17-10-11-21(14-23(17)30-13-12-18-6-4-5-9-22(18)26)27-25(24(28)29)15-19-7-2-3-8-20(19)16-25/h2-11,14,27H,12-13,15-16H2,1H3,(H,28,29)
InChIKeyUHSVXFFITKVRFP-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.79
Rot. Bonds7

About 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid

2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 129147359) has the molecular formula C25H24FNO3 and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID129147359
Molecular FormulaC25H24FNO3
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1ccccc1F
InChIInChI=1S/C25H24FNO3/c1-17-10-11-21(14-23(17)30-13-12-18-6-4-5-9-22(18)26)27-25(24(28)29)15-19-7-2-3-8-20(19)16-25/h2-11,14,27H,12-13,15-16H2,1H3,(H,28,29)
InChIKeyUHSVXFFITKVRFP-UHFFFAOYSA-N
XLogP4.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-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

Fmoc-Lys(DMACA)-OH
CID 138376147
N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide
CID 134150236
ethyl 3-[4-[[4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]amino]-2-fluorophenyl]propanoate
CID 23157249
3-[4-[[4-(2,6-dimethylphenoxy)-2,3-dihydro-1H-inden-1-yl]amino]-2-fluorophenyl]propanoic acid
CID 23157392
2-[(3-Ethoxy-2-fluoro-4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 69905228
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-(2,5-Dichlorophenyl)ethoxy]-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147262
2-[3-Ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147371

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid (CID 129147359) is 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid is Cc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1ccccc1F.
What is the InChIKey of 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is UHSVXFFITKVRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO3/c1-17-10-11-21(14-23(17)30-13-12-18-6-4-5-9-22(18)26)27-25(24(28)29)15-19-7-2-3-8-20(19)16-25/h2-11,14,27H,12-13,15-16H2,1H3,(H,28,29).
What are the key properties of 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid?
2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 405.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 129147359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).