[(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate

C30H20ClNO6 — CID 126181966

About [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate

[(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate (PubChem CID 126181966) has the molecular formula C30H20ClNO6 and a molecular weight of 525.94 g/mol. Its IUPAC name is [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate.

Molecular Properties

• Compound Name: [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate
• PubChem CID: 126181966
• Molecular Formula: C30H20ClNO6
• Molecular Weight: 525.94 g/mol
• Exact Mass: 525.10
• IUPAC Name: [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate
• SMILES: COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H20ClNO6/c1-37-25-17-24(32-28(34)20-14-8-9-15-21(20)29(32)35)23(31)16-22(25)30(36)38-27(19-12-6-3-7-13-19)26(33)18-10-4-2-5-11-18/h2-17,27H,1H3/t27-/m1/s1
• InChIKey: AMHZUVLCNJCJNS-HHHXNRCGSA-N
• XLogP: 5.93
• TPSA: 89.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.94
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate?

The IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate (CID 126181966) is [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate.

What is the SMILES notation for [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate?

The canonical SMILES for [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate is COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1.

What is the InChIKey of [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate?

The InChIKey is AMHZUVLCNJCJNS-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H20ClNO6/c1-37-25-17-24(32-28(34)20-14-8-9-15-21(20)29(32)35)23(31)16-22(25)30(36)38-27(19-12-6-3-7-13-19)26(33)18-10-4-2-5-11-18/h2-17,27H,1H3/t27-/m1/s1.

What are the key properties of [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate?

[(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate has a molecular weight of 525.94 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate is sourced from PubChem (CID 126181966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).