2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid

C19H18F3NO3 — CID 129147371

IUPAC2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCOc1cc(NC2(C(=O)O)Cc3ccccc3C2)ccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO3/c1-2-26-16-9-14(7-8-15(16)19(20,21)22)23-18(17(24)25)10-12-5-3-4-6-13(12)11-18/h3-9,23H,2,10-11H2,1H3,(H,24,25)
InChIKeyXKJLOISTXMBCRP-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.14
Rot. Bonds5

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

2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 129147371) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID129147371
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCOc1cc(NC2(C(=O)O)Cc3ccccc3C2)ccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO3/c1-2-26-16-9-14(7-8-15(16)19(20,21)22)23-18(17(24)25)10-12-5-3-4-6-13(12)11-18/h3-9,23H,2,10-11H2,1H3,(H,24,25)
InChIKeyXKJLOISTXMBCRP-UHFFFAOYSA-N
XLogP4.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3S)-3-(2-methoxyanilino)-3-(trifluoromethyl)-1,2-dihydroindene-2-carboxylate
CID 162405205
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-(2,2-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-[2-(2-Fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147359
2-[3-[2-(3-Methylphenyl)ethoxy]-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147448
4-Fluoro-2-[4-methoxy-3-[2-(3-methylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147458
2-[3-Ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde
CID 143888564
2-[3-[2-(2,5-Dichlorophenyl)ethoxy]-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde
CID 143888566

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid (CID 129147371) is 2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid is CCOc1cc(NC2(C(=O)O)Cc3ccccc3C2)ccc1C(F)(F)F.
What is the InChIKey of 2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is XKJLOISTXMBCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-2-26-16-9-14(7-8-15(16)19(20,21)22)23-18(17(24)25)10-12-5-3-4-6-13(12)11-18/h3-9,23H,2,10-11H2,1H3,(H,24,25).
What are the key properties of 2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid?
2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 365.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-4-(trifluoromethyl)anilino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 129147371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).