(7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide

C21H21FN2O3 — CID 122619743

IUPAC(7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)C[C@@]1(CC2)CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H21FN2O3/c22-18-5-1-14(2-6-18)12-24-13-21(11-19(24)25)8-7-15-3-4-16(20(26)23-27)9-17(15)10-21/h1-6,9,27H,7-8,10-13H2,(H,23,26)/t21-/m0/s1
InChIKeyYYNNTZHMBARSNC-NRFANRHFSA-N
MW368.41 g/mol
LogP2.85
Rot. Bonds3

About (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide

(7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide (PubChem CID 122619743) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
PubChem CID122619743
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name(7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)C[C@@]1(CC2)CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H21FN2O3/c22-18-5-1-14(2-6-18)12-24-13-21(11-19(24)25)8-7-15-3-4-16(20(26)23-27)9-17(15)10-21/h1-6,9,27H,7-8,10-13H2,(H,23,26)/t21-/m0/s1
InChIKeyYYNNTZHMBARSNC-NRFANRHFSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.85
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'}

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Related Compounds

(7R)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619586
N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
CID 122632339
N-hydroxy-2'-oxo-1'-propan-2-ylspiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
CID 122632324
1'-[(4-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619692
(7S)-1'-[(4-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619551
(7R)-1'-benzyl-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619527
N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122634909
(6R)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
CID 122616404
(6S)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
CID 122616426
N-hydroxy-1'-methylspiro[1,3-dihydroindene-2,3'-piperidine]-5-carboxamide
CID 138707615
(2R)-1'-ethyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide
CID 138707575
ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 145171330

Frequently Asked Questions

What is the IUPAC name of (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The IUPAC name of (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide (CID 122619743) is (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide is O=C(NO)c1ccc2c(c1)C[C@@]1(CC2)CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The InChIKey is YYNNTZHMBARSNC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-18-5-1-14(2-6-18)12-24-13-21(11-19(24)25)8-7-15-3-4-16(20(26)23-27)9-17(15)10-21/h1-6,9,27H,7-8,10-13H2,(H,23,26)/t21-/m0/s1.
What are the key properties of (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
(7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122619743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).