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

C75H66F9N5O12 — CID 167572800

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

N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid (PubChem CID 167572800) has the molecular formula C75H66F9N5O12 and a molecular weight of 1400.36 g/mol. Its IUPAC name is N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid.

Molecular Properties

• Compound Name: N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
• PubChem CID: 167572800
• Molecular Formula: C75H66F9N5O12
• Molecular Weight: 1400.36 g/mol
• Exact Mass: 1399.46
• IUPAC Name: N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
• SMILES: COC(=O)c1cccc2c1CC1(CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.O=C(NO)c1cccc2c1CC1(CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2.O=C(O)c1cccc2c1CC1(CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2
• InChI: InChI=1S/C21H18F3NO3.C20H17F3N2O3.C20H16F3NO3.C14H15NO3/c1-28-18(26)16-4-2-3-13-11-20(12-17(13)16)9-10-25(19(20)27)15-7-5-14(6-8-15)21(22,23)24;21-20(22,23)13-4-6-14(7-5-13)25-9-8-19(18(25)27)10-12-2-1-3-15(16(12)11-19)17(26)24-28;21-20(22,23)13-4-6-14(7-5-13)24-9-8-19(18(24)27)10-12-2-1-3-15(17(25)26)16(12)11-19;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17/h2-8H,9-12H2,1H3;1-7,28H,8-11H2,(H,24,26);1-7H,8-11H2,(H,25,26);2-4H,5-8H2,1H3,(H,15,17)
• InChIKey: GDEJFZYHXVZCIO-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 229.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1400.36
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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 N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid?

The IUPAC name of N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid (CID 167572800) is N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid.

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

The canonical SMILES for N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid is COC(=O)c1cccc2c1CC1(CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.O=C(NO)c1cccc2c1CC1(CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2.O=C(O)c1cccc2c1CC1(CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2.

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

The InChIKey is GDEJFZYHXVZCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO3.C20H17F3N2O3.C20H16F3NO3.C14H15NO3/c1-28-18(26)16-4-2-3-13-11-20(12-17(13)16)9-10-25(19(20)27)15-7-5-14(6-8-15)21(22,23)24;21-20(22,23)13-4-6-14(7-5-13)25-9-8-19(18(25)27)10-12-2-1-3-15(16(12)11-19)17(26)24-28;21-20(22,23)13-4-6-14(7-5-13)24-9-8-19(18(24)27)10-12-2-1-3-15(17(25)26)16(12)11-19;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17/h2-8H,9-12H2,1H3;1-7,28H,8-11H2,(H,24,26);1-7H,8-11H2,(H,25,26);2-4H,5-8H2,1H3,(H,15,17).

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

N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid has a molecular weight of 1400.36 g/mol, XLogP of 12.36, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid is sourced from PubChem (CID 167572800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).