(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide

C22H23F3N2O3 — CID 129057575

IUPAC(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)C1=CC2CC[C@]3(CCN(Cc4ccccc4C(F)(F)F)C3=O)CC2C=C1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)18-4-2-1-3-17(18)13-27-10-9-21(20(27)29)8-7-14-11-15(19(28)26-30)5-6-16(14)12-21/h1-6,11,14,16,30H,7-10,12-13H2,(H,26,28)/t14?,16?,21-/m0/s1
InChIKeyXBEWANJLPMYVRY-LGHNAOJLSA-N
MW420.43 g/mol
LogP3.84
Rot. Bonds3

About (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide

(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 129057575) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID129057575
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)C1=CC2CC[C@]3(CCN(Cc4ccccc4C(F)(F)F)C3=O)CC2C=C1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)18-4-2-1-3-17(18)13-27-10-9-21(20(27)29)8-7-14-11-15(19(28)26-30)5-6-16(14)12-21/h1-6,11,14,16,30H,7-10,12-13H2,(H,26,28)/t14?,16?,21-/m0/s1
InChIKeyXBEWANJLPMYVRY-LGHNAOJLSA-N
XLogP3.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide 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

(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616545
N-hydroxy-4-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126645633
(7R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619573
(6S)-1'-[(2-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
CID 160793557
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 166031134
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 56913627
3-methylsulfanyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide
CID 42511312
4-[[2-(trifluoromethyl)phenyl]methyl]thiomorpholine-3-carboxylic acid
CID 82905294
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56908965
(5R)-7-(2-hydroxyethyl)-2-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97143697
1-tert-butyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea
CID 45238724

Frequently Asked Questions

What is the IUPAC name of (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 129057575) is (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide is O=C(NO)C1=CC2CC[C@]3(CCN(Cc4ccccc4C(F)(F)F)C3=O)CC2C=C1.
What is the InChIKey of (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is XBEWANJLPMYVRY-LGHNAOJLSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)18-4-2-1-3-17(18)13-27-10-9-21(20(27)29)8-7-14-11-15(19(28)26-30)5-6-16(14)12-21/h1-6,11,14,16,30H,7-10,12-13H2,(H,26,28)/t14?,16?,21-/m0/s1.
What are the key properties of (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 129057575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).