5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid

C26H24ClNO5 — CID 141378933

About 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid

5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 141378933) has the molecular formula C26H24ClNO5 and a molecular weight of 465.93 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
• PubChem CID: 141378933
• Molecular Formula: C26H24ClNO5
• Molecular Weight: 465.93 g/mol
• Exact Mass: 465.13
• IUPAC Name: 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
• SMILES: COc1ccc(-c2ccccc2)c(C(=O)N2C(C(=O)O)CCC2c2ccccc2Cl)c1OC
• InChI: InChI=1S/C26H24ClNO5/c1-32-22-15-12-17(16-8-4-3-5-9-16)23(24(22)33-2)25(29)28-20(13-14-21(28)26(30)31)18-10-6-7-11-19(18)27/h3-12,15,20-21H,13-14H2,1-2H3,(H,30,31)
• InChIKey: QQZHFYNHTJLHBN-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.93
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?

The IUPAC name of 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid (CID 141378933) is 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?

The canonical SMILES for 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid is COc1ccc(-c2ccccc2)c(C(=O)N2C(C(=O)O)CCC2c2ccccc2Cl)c1OC.

What is the InChIKey of 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?

The InChIKey is QQZHFYNHTJLHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO5/c1-32-22-15-12-17(16-8-4-3-5-9-16)23(24(22)33-2)25(29)28-20(13-14-21(28)26(30)31)18-10-6-7-11-19(18)27/h3-12,15,20-21H,13-14H2,1-2H3,(H,30,31).

What are the key properties of 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid?

5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 465.93 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chlorophenyl)-1-(2,3-dimethoxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141378933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).