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

C78H74F9N5O11 — CID 167593186

IUPACN-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
SMILESCOC(=O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2.O=C(NO)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1=O)C2.O=C(O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1=O)C2
InChIInChI=1S/C22H20F3NO3.C21H19F3N2O3.C21H18F3NO3.C14H17NO2/c1-29-19(27)17-4-2-3-15-11-21(12-18(15)17)9-10-26(20(21)28)13-14-5-7-16(8-6-14)22(23,24)25;22-21(23,24)15-6-4-13(5-7-15)12-26-9-8-20(19(26)28)10-14-2-1-3-16(17(14)11-20)18(27)25-29;22-21(23,24)15-6-4-13(5-7-15)12-25-9-8-20(19(25)28)10-14-2-1-3-16(18(26)27)17(14)11-20;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-8H,9-13H2,1H3;1-7,29H,8-12H2,(H,25,27);1-7H,8-12H2,(H,26,27);2-4,15H,5-9H2,1H3
InChIKeyIRPFBQUOLHFCDB-UHFFFAOYSA-N
MW1428.46 g/mol
LogP12.82
Rot. Bonds10

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

N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid (PubChem CID 167593186) has the molecular formula C78H74F9N5O11 and a molecular weight of 1428.46 g/mol. Its IUPAC name is N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid.

Molecular Properties

Compound NameN-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
PubChem CID167593186
Molecular FormulaC78H74F9N5O11
Molecular Weight1428.46 g/mol
Exact Mass1427.52
IUPAC NameN-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
SMILESCOC(=O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2.O=C(NO)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1=O)C2.O=C(O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1=O)C2
InChIInChI=1S/C22H20F3NO3.C21H19F3N2O3.C21H18F3NO3.C14H17NO2/c1-29-19(27)17-4-2-3-15-11-21(12-18(15)17)9-10-26(20(21)28)13-14-5-7-16(8-6-14)22(23,24)25;22-21(23,24)15-6-4-13(5-7-15)12-26-9-8-20(19(26)28)10-14-2-1-3-16(17(14)11-20)18(27)25-29;22-21(23,24)15-6-4-13(5-7-15)12-25-9-8-20(19(25)28)10-14-2-1-3-16(18(26)27)17(14)11-20;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-8H,9-13H2,1H3;1-7,29H,8-12H2,(H,25,27);1-7H,8-12H2,(H,26,27);2-4,15H,5-9H2,1H3
InChIKeyIRPFBQUOLHFCDB-UHFFFAOYSA-N
XLogP12.82
TPSA212.19 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001428.46
LogP ≤ 512.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid?
The IUPAC name of N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid (CID 167593186) is N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid.
What is the SMILES notation for N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid?
The canonical SMILES for N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid is COC(=O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2.O=C(NO)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1=O)C2.O=C(O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1=O)C2.
What is the InChIKey of N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid?
The InChIKey is IRPFBQUOLHFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO3.C21H19F3N2O3.C21H18F3NO3.C14H17NO2/c1-29-19(27)17-4-2-3-15-11-21(12-18(15)17)9-10-26(20(21)28)13-14-5-7-16(8-6-14)22(23,24)25;22-21(23,24)15-6-4-13(5-7-15)12-26-9-8-20(19(26)28)10-14-2-1-3-16(17(14)11-20)18(27)25-29;22-21(23,24)15-6-4-13(5-7-15)12-25-9-8-20(19(25)28)10-14-2-1-3-16(18(26)27)17(14)11-20;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-8H,9-13H2,1H3;1-7,29H,8-12H2,(H,25,27);1-7H,8-12H2,(H,26,27);2-4,15H,5-9H2,1H3.
What are the key properties of N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid?
N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid has a molecular weight of 1428.46 g/mol, XLogP of 12.82, 10 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]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid is sourced from PubChem (CID 167593186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).