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

C55H50F6N4O9 — CID 159351946

IUPACN-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
SMILESCOC(=O)c1cccc2c1CC1(CCN(c3cccc(C(F)(F)F)c3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.O=C(NO)c1cccc2c1CC1(CCN(c3cccc(C(F)(F)F)c3)C1=O)C2
InChIInChI=1S/C21H18F3NO3.C20H17F3N2O3.C14H15NO3/c1-28-18(26)16-7-2-4-13-11-20(12-17(13)16)8-9-25(19(20)27)15-6-3-5-14(10-15)21(22,23)24;21-20(22,23)13-4-2-5-14(9-13)25-8-7-19(18(25)27)10-12-3-1-6-15(16(12)11-19)17(26)24-28;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17/h2-7,10H,8-9,11-12H2,1H3;1-6,9,28H,7-8,10-11H2,(H,24,26);2-4H,5-8H2,1H3,(H,15,17)
InChIKeyLHKYKPVIBOLCPS-UHFFFAOYSA-N
MW1025.01 g/mol
LogP8.44
Rot. Bonds5

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

N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (PubChem CID 159351946) has the molecular formula C55H50F6N4O9 and a molecular weight of 1025.01 g/mol. Its IUPAC name is N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

Molecular Properties

Compound NameN-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
PubChem CID159351946
Molecular FormulaC55H50F6N4O9
Molecular Weight1025.01 g/mol
Exact Mass1024.35
IUPAC NameN-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
SMILESCOC(=O)c1cccc2c1CC1(CCN(c3cccc(C(F)(F)F)c3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.O=C(NO)c1cccc2c1CC1(CCN(c3cccc(C(F)(F)F)c3)C1=O)C2
InChIInChI=1S/C21H18F3NO3.C20H17F3N2O3.C14H15NO3/c1-28-18(26)16-7-2-4-13-11-20(12-17(13)16)8-9-25(19(20)27)15-6-3-5-14(10-15)21(22,23)24;21-20(22,23)13-4-2-5-14(9-13)25-8-7-19(18(25)27)10-12-3-1-6-15(16(12)11-19)17(26)24-28;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17/h2-7,10H,8-9,11-12H2,1H3;1-6,9,28H,7-8,10-11H2,(H,24,26);2-4H,5-8H2,1H3,(H,15,17)
InChIKeyLHKYKPVIBOLCPS-UHFFFAOYSA-N
XLogP8.44
TPSA171.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.01
LogP ≤ 58.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate with MolForge

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Related Compounds

4-[2-[4-Carboxy-3-[[4-[9-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]fluoren-9-yl]phenyl]carbamoyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(methylcarbamoyl)benzoic acid
CID 57979102
[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-[4-[5-[1,3-dioxo-5-[1,2,2,2-tetrafluoro-1-(2-methyl-1,3-dioxoisoindol-5-yl)ethyl]isoindol-2-yl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate
CID 145765415
Methyl 9-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-9-(4-methylphenyl)fluorene-4-carboxylate
CID 148992430
5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methyl 5-amino-2-(4-amino-2-methoxycarbonylphenyl)benzoate;methyl 2-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2-methoxycarbonylphenyl]-5-methylbenzoate
CID 157476393
4-[4-Amino-2-(trifluoromethyl)phenyl]-3-methylaniline;5-[2-[2-[4-(2,4-dimethylphenyl)-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 159748690
N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate
CID 159849424
4-[4-Amino-2-(trifluoromethyl)phenyl]-3-methylaniline;5-[2,2-difluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)ethyl]-2-[4-(2,4-dimethylphenyl)-3-(trifluoromethyl)phenyl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;methane
CID 161114715
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
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
N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 167629186
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
(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane
CID 157454692

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
The IUPAC name of N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (CID 159351946) is N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.
What is the SMILES notation for N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
The canonical SMILES for N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is COC(=O)c1cccc2c1CC1(CCN(c3cccc(C(F)(F)F)c3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.O=C(NO)c1cccc2c1CC1(CCN(c3cccc(C(F)(F)F)c3)C1=O)C2.
What is the InChIKey of N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
The InChIKey is LHKYKPVIBOLCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO3.C20H17F3N2O3.C14H15NO3/c1-28-18(26)16-7-2-4-13-11-20(12-17(13)16)8-9-25(19(20)27)15-6-3-5-14(10-15)21(22,23)24;21-20(22,23)13-4-2-5-14(9-13)25-8-7-19(18(25)27)10-12-3-1-6-15(16(12)11-19)17(26)24-28;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17/h2-7,10H,8-9,11-12H2,1H3;1-6,9,28H,7-8,10-11H2,(H,24,26);2-4H,5-8H2,1H3,(H,15,17).
What are the key properties of N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate has a molecular weight of 1025.01 g/mol, XLogP of 8.44, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2'-oxo-1'-[3-(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'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is sourced from PubChem (CID 159351946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).