N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide

C22H21F3N2O4 — CID 134492554

IUPACN-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
SMILESO=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3OC(F)C(F)F)C1=O)C2
InChIInChI=1S/C22H21F3N2O4/c23-18(24)19(25)31-17-7-2-1-4-14(17)12-27-9-8-22(21(27)29)10-13-5-3-6-15(16(13)11-22)20(28)26-30/h1-7,18-19,30H,8-12H2,(H,26,28)
InChIKeyYLWIQCCMFBSEBX-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.26
Rot. Bonds6

About N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide

N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide (PubChem CID 134492554) has the molecular formula C22H21F3N2O4 and a molecular weight of 434.41 g/mol. Its IUPAC name is N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
PubChem CID134492554
Molecular FormulaC22H21F3N2O4
Molecular Weight434.41 g/mol
Exact Mass434.15
IUPAC NameN-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
SMILESO=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3OC(F)C(F)F)C1=O)C2
InChIInChI=1S/C22H21F3N2O4/c23-18(24)19(25)31-17-7-2-1-4-14(17)12-27-9-8-22(21(27)29)10-13-5-3-6-15(16(13)11-22)20(28)26-30/h1-7,18-19,30H,8-12H2,(H,26,28)
InChIKeyYLWIQCCMFBSEBX-UHFFFAOYSA-N
XLogP3.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619573
N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
CID 134459694
(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616545
methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 134459869
(6S)-1'-[(2-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
CID 160793557
(2R)-1'-ethyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide
CID 138707575
(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616521
(7R)-1'-benzyl-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619527
N-hydroxy-1'-[(3-methoxyphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747792
2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylic acid
CID 134459884
1'-benzyl-N-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxamide;methyl 1'-benzylspiro[1,3-dihydroindene-2,4'-piperidine]-4-carboxylate
CID 157115819
(6S)-N-hydroxy-1'-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616489

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide?
The IUPAC name of N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide (CID 134492554) is N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide.
What is the SMILES notation for N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide?
The canonical SMILES for N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide is O=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3OC(F)C(F)F)C1=O)C2.
What is the InChIKey of N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide?
The InChIKey is YLWIQCCMFBSEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O4/c23-18(24)19(25)31-17-7-2-1-4-14(17)12-27-9-8-22(21(27)29)10-13-5-3-6-15(16(13)11-22)20(28)26-30/h1-7,18-19,30H,8-12H2,(H,26,28).
What are the key properties of N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide?
N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide has a molecular weight of 434.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide is sourced from PubChem (CID 134492554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).