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

C26H26FNO4 — CID 143888595

IUPAC2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde
SMILESC=O.Cc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1ccccc1F
InChIInChI=1S/C25H24FNO3.CH2O/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;1-2/h2-11,14,27H,12-13,15-16H2,1H3,(H,28,29);1H2
InChIKeyUHKLPWXWMHTQDX-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.60
Rot. Bonds7

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

2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde (PubChem CID 143888595) has the molecular formula C26H26FNO4 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde.

Molecular Properties

Compound Name2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde
PubChem CID143888595
Molecular FormulaC26H26FNO4
Molecular Weight435.50 g/mol
Exact Mass435.18
IUPAC Name2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde
SMILESC=O.Cc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1ccccc1F
InChIInChI=1S/C25H24FNO3.CH2O/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;1-2/h2-11,14,27H,12-13,15-16H2,1H3,(H,28,29);1H2
InChIKeyUHKLPWXWMHTQDX-UHFFFAOYSA-N
XLogP4.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(3-methylphenyl)ethoxy]-4-phenylmethoxyanilino]-1,3-dihydroindene-2-carboxylic acid
CID 143888577
2-[3-[2-[3-(2-hydroxy-2-methylpropyl)phenyl]ethoxy]-4-methoxyanilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147362
2-[4-methoxy-3-[2-(3-methylsulfinylphenyl)ethoxy]anilino]-1,3-dihydroindene-2-carboxylic acid
CID 129147226
1-(3-fluoro-4-methylanilino)cyclopentane-1-carboxylic acid
CID 114990350
3-[2-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
CID 174173825
5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide
CID 174173738
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
CID 34699932
2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992564
2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992549
2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 59314394
1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81167804
3-(2-fluorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]propanamide
CID 91631320

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde?
The IUPAC name of 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde (CID 143888595) is 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde.
What is the SMILES notation for 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde?
The canonical SMILES for 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde is C=O.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;formaldehyde?
The InChIKey is UHKLPWXWMHTQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO3.CH2O/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;1-2/h2-11,14,27H,12-13,15-16H2,1H3,(H,28,29);1H2.
What are the key properties of 2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde?
2-[3-[2-(2-fluorophenyl)ethoxy]-4-methylanilino]-1,3-dihydroindene-2-carboxylic acid;formaldehyde has a molecular weight of 435.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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;formaldehyde is sourced from PubChem (CID 143888595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).