1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone

C26H15ClFNO5 — CID 4713785

About 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone

1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (PubChem CID 4713785) has the molecular formula C26H15ClFNO5 and a molecular weight of 475.86 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

Molecular Properties

• Compound Name: 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
• PubChem CID: 4713785
• Molecular Formula: C26H15ClFNO5
• Molecular Weight: 475.86 g/mol
• Exact Mass: 475.06
• IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
• SMILES: O=C1C2C(c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1
• InChI: InChI=1S/C26H15ClFNO5/c27-17-12-13(10-11-18(17)28)21-19-20(25(33)29(24(19)32)14-6-2-1-3-7-14)26(34-21)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H
• InChIKey: ZULCMHYQZWBAGM-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 80.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.86
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?

The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (CID 4713785) is 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?

The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is O=C1C2C(c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccccc1.

What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?

The InChIKey is ZULCMHYQZWBAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClFNO5/c27-17-12-13(10-11-18(17)28)21-19-20(25(33)29(24(19)32)14-6-2-1-3-7-14)26(34-21)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H.

What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?

1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone has a molecular weight of 475.86 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-4-fluorophenyl)-5-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is sourced from PubChem (CID 4713785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).