1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

C57H52F8N4O9 — CID 167709765

About 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (PubChem CID 167709765) has the molecular formula C57H52F8N4O9 and a molecular weight of 1089.05 g/mol. Its IUPAC name is 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

Molecular Properties

• Compound Name: 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
• PubChem CID: 167709765
• Molecular Formula: C57H52F8N4O9
• Molecular Weight: 1089.05 g/mol
• Exact Mass: 1088.36
• IUPAC Name: 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
• SMILES: COC(=O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.O=C(NO)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C1=O)C2
• InChI: InChI=1S/C22H19F4NO3.C21H18F4N2O3.C14H15NO3/c1-30-19(28)15-4-2-3-14-10-21(11-16(14)15)7-8-27(20(21)29)12-13-5-6-17(18(23)9-13)22(24,25)26;22-17-8-12(4-5-16(17)21(23,24)25)11-27-7-6-20(19(27)29)9-13-2-1-3-14(15(13)10-20)18(28)26-30;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17/h2-6,9H,7-8,10-12H2,1H3;1-5,8,30H,6-7,9-11H2,(H,26,28);2-4H,5-8H2,1H3,(H,15,17)
• InChIKey: ZQLCYPAJMGQZII-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 171.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1089.05
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The IUPAC name of 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (CID 167709765) is 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

What is the SMILES notation for 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The canonical SMILES for 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is COC(=O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.O=C(NO)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C1=O)C2.

What is the InChIKey of 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The InChIKey is ZQLCYPAJMGQZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4NO3.C21H18F4N2O3.C14H15NO3/c1-30-19(28)15-4-2-3-14-10-21(11-16(14)15)7-8-27(20(21)29)12-13-5-6-17(18(23)9-13)22(24,25)26;22-17-8-12(4-5-16(17)21(23,24)25)11-27-7-6-20(19(27)29)9-13-2-1-3-14(15(13)10-20)18(28)26-30;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17/h2-6,9H,7-8,10-12H2,1H3;1-5,8,30H,6-7,9-11H2,(H,26,28);2-4H,5-8H2,1H3,(H,15,17).

What are the key properties of 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate has a molecular weight of 1089.05 g/mol, XLogP of 8.71, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is sourced from PubChem (CID 167709765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).