ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate

C26H23Cl2NO3 — CID 68666782

IUPACethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)Cc2ccc(Cl)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C26H23Cl2NO3/c1-2-32-25(31)26(29-24(30)13-17-3-9-22(27)10-4-17)15-20-6-5-19(14-21(20)16-26)18-7-11-23(28)12-8-18/h3-12,14H,2,13,15-16H2,1H3,(H,29,30)
InChIKeyWJVWMYKMRZUSDE-UHFFFAOYSA-N
MW468.38 g/mol
LogP5.42
Rot. Bonds6

About ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate

ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 68666782) has the molecular formula C26H23Cl2NO3 and a molecular weight of 468.38 g/mol. Its IUPAC name is ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate
PubChem CID68666782
Molecular FormulaC26H23Cl2NO3
Molecular Weight468.38 g/mol
Exact Mass467.11
IUPAC Nameethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)Cc2ccc(Cl)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C26H23Cl2NO3/c1-2-32-25(31)26(29-24(30)13-17-3-9-22(27)10-4-17)15-20-6-5-19(14-21(20)16-26)18-7-11-23(28)12-8-18/h3-12,14H,2,13,15-16H2,1H3,(H,29,30)
InChIKeyWJVWMYKMRZUSDE-UHFFFAOYSA-N
XLogP5.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate (CID 68666782) is ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)Cc2ccc(Cl)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1.
What is the InChIKey of ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is WJVWMYKMRZUSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2NO3/c1-2-32-25(31)26(29-24(30)13-17-3-9-22(27)10-4-17)15-20-6-5-19(14-21(20)16-26)18-7-11-23(28)12-8-18/h3-12,14H,2,13,15-16H2,1H3,(H,29,30).
What are the key properties of ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate?
ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 468.38 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 68666782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).