2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

C26H22ClF2NO5 — CID 67076670

IUPAC2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCC(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C26H22ClF2NO5/c1-34-21-10-9-16(11-22(21)35-15-26(28,29)19-7-4-8-20(27)12-19)23(31)30-25(24(32)33)13-17-5-2-3-6-18(17)14-25/h2-12H,13-15H2,1H3,(H,30,31)(H,32,33)
InChIKeyPQMOWPQNTLFRPR-UHFFFAOYSA-N
MW501.91 g/mol
LogP4.87
Rot. Bonds8

About 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 67076670) has the molecular formula C26H22ClF2NO5 and a molecular weight of 501.91 g/mol. Its IUPAC name is 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID67076670
Molecular FormulaC26H22ClF2NO5
Molecular Weight501.91 g/mol
Exact Mass501.12
IUPAC Name2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCC(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C26H22ClF2NO5/c1-34-21-10-9-16(11-22(21)35-15-26(28,29)19-7-4-8-20(27)12-19)23(31)30-25(24(32)33)13-17-5-2-3-6-18(17)14-25/h2-12H,13-15H2,1H3,(H,30,31)(H,32,33)
InChIKeyPQMOWPQNTLFRPR-UHFFFAOYSA-N
XLogP4.87
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.91
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-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

methyl 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 67076651
2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076742
2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076784
2-[[2-bromo-5-[2-(3-chlorophenyl)ethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076755
2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076698
2-[[4-chloro-3-[3-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 68553692
5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076274
4,7-difluoro-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076632
methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 67076518
2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 174782776
(3S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]thiolane-3-carboxylic acid
CID 125147917
2-[[4-methoxycarbonyl-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 142764641

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 67076670) is 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is COc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCC(F)(F)c1cccc(Cl)c1.
What is the InChIKey of 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is PQMOWPQNTLFRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2NO5/c1-34-21-10-9-16(11-22(21)35-15-26(28,29)19-7-4-8-20(27)12-19)23(31)30-25(24(32)33)13-17-5-2-3-6-18(17)14-25/h2-12H,13-15H2,1H3,(H,30,31)(H,32,33).
What are the key properties of 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 501.91 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 67076670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).