(7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

C22H21F3N2O4 — CID 122619573

IUPAC(7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)C[C@]1(CC2)CCN(Cc2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C22H21F3N2O4/c23-22(24,25)31-18-4-2-1-3-16(18)13-27-10-9-21(20(27)29)8-7-14-5-6-15(19(28)26-30)11-17(14)12-21/h1-6,11,30H,7-10,12-13H2,(H,26,28)/t21-/m0/s1
InChIKeyWPAMMGVDEOZEHI-NRFANRHFSA-N
MW434.41 g/mol
LogP3.61
Rot. Bonds4

About (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

(7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (PubChem CID 122619573) has the molecular formula C22H21F3N2O4 and a molecular weight of 434.41 g/mol. Its IUPAC name is (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
PubChem CID122619573
Molecular FormulaC22H21F3N2O4
Molecular Weight434.41 g/mol
Exact Mass434.15
IUPAC Name(7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)C[C@]1(CC2)CCN(Cc2ccccc2OC(F)(F)F)C1=O
InChIInChI=1S/C22H21F3N2O4/c23-22(24,25)31-18-4-2-1-3-16(18)13-27-10-9-21(20(27)29)8-7-14-5-6-15(19(28)26-30)11-17(14)12-21/h1-6,11,30H,7-10,12-13H2,(H,26,28)/t21-/m0/s1
InChIKeyWPAMMGVDEOZEHI-NRFANRHFSA-N
XLogP3.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.61
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

(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616545
(7R)-1'-benzyl-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619527
(6S)-1'-[(2-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
CID 160793557
(7S)-1'-[(4-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619551
(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616521
(6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616387
(7S)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619693
N-hydroxy-2'-oxo-1'-[[2-(1,2,2-trifluoroethoxy)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
CID 134492554
(7R)-1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylic acid
CID 122619625
(7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619772
N-hydroxy-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747820
(3S)-1'-[(2,6-dichlorophenyl)methyl]-6-(2-hydroxyacetyl)spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one;sulfane
CID 162011094

Frequently Asked Questions

What is the IUPAC name of (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (CID 122619573) is (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is O=C(NO)c1ccc2c(c1)C[C@]1(CC2)CCN(Cc2ccccc2OC(F)(F)F)C1=O.
What is the InChIKey of (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The InChIKey is WPAMMGVDEOZEHI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21F3N2O4/c23-22(24,25)31-18-4-2-1-3-16(18)13-27-10-9-21(20(27)29)8-7-14-5-6-15(19(28)26-30)11-17(14)12-21/h1-6,11,30H,7-10,12-13H2,(H,26,28)/t21-/m0/s1.
What are the key properties of (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
(7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide has a molecular weight of 434.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122619573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).