5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

C24H19Cl2NO3 — CID 59335650

IUPAC5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(Cc1cccc(Cl)c1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C24H19Cl2NO3/c25-20-8-6-16(7-9-20)17-4-5-18-13-24(23(29)30,14-19(18)12-17)27-22(28)11-15-2-1-3-21(26)10-15/h1-10,12H,11,13-14H2,(H,27,28)(H,29,30)
InChIKeyMYTYHUSMYCCMID-UHFFFAOYSA-N
MW440.33 g/mol
LogP4.94
Rot. Bonds5

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

5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335650) has the molecular formula C24H19Cl2NO3 and a molecular weight of 440.33 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59335650
Molecular FormulaC24H19Cl2NO3
Molecular Weight440.33 g/mol
Exact Mass439.07
IUPAC Name5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(Cc1cccc(Cl)c1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C24H19Cl2NO3/c25-20-8-6-16(7-9-20)17-4-5-18-13-24(23(29)30,14-19(18)12-17)27-22(28)11-15-2-1-3-21(26)10-15/h1-10,12H,11,13-14H2,(H,27,28)(H,29,30)
InChIKeyMYTYHUSMYCCMID-UHFFFAOYSA-N
XLogP4.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 59335650) is 5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is O=C(Cc1cccc(Cl)c1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is MYTYHUSMYCCMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO3/c25-20-8-6-16(7-9-20)17-4-5-18-13-24(23(29)30,14-19(18)12-17)27-22(28)11-15-2-1-3-21(26)10-15/h1-10,12H,11,13-14H2,(H,27,28)(H,29,30).
What are the key properties of 5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 440.33 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[[2-(3-chlorophenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).