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

C25H22ClNO4 — CID 59335821

IUPAC5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(CC(=O)NC2(C(=O)O)Cc3ccc(-c4ccc(Cl)cc4)cc3C2)cc1
InChIInChI=1S/C25H22ClNO4/c1-31-22-10-2-16(3-11-22)12-23(28)27-25(24(29)30)14-19-5-4-18(13-20(19)15-25)17-6-8-21(26)9-7-17/h2-11,13H,12,14-15H2,1H3,(H,27,28)(H,29,30)
InChIKeyOHFADATZZVOZFR-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.30
Rot. Bonds6

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

5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335821) has the molecular formula C25H22ClNO4 and a molecular weight of 435.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59335821
Molecular FormulaC25H22ClNO4
Molecular Weight435.91 g/mol
Exact Mass435.12
IUPAC Name5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(CC(=O)NC2(C(=O)O)Cc3ccc(-c4ccc(Cl)cc4)cc3C2)cc1
InChIInChI=1S/C25H22ClNO4/c1-31-22-10-2-16(3-11-22)12-23(28)27-25(24(29)30)14-19-5-4-18(13-20(19)15-25)17-6-8-21(26)9-7-17/h2-11,13H,12,14-15H2,1H3,(H,27,28)(H,29,30)
InChIKeyOHFADATZZVOZFR-UHFFFAOYSA-N
XLogP4.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 59335821) is 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is COc1ccc(CC(=O)NC2(C(=O)O)Cc3ccc(-c4ccc(Cl)cc4)cc3C2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is OHFADATZZVOZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO4/c1-31-22-10-2-16(3-11-22)12-23(28)27-25(24(29)30)14-19-5-4-18(13-20(19)15-25)17-6-8-21(26)9-7-17/h2-11,13H,12,14-15H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 435.91 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).