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

C21H22Cl2N2O3 — CID 129057617

IUPAC(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)C1=CC2CC[C@]3(CCN(Cc4c(Cl)cccc4Cl)C3=O)CC2C=C1
InChIInChI=1S/C21H22Cl2N2O3/c22-17-2-1-3-18(23)16(17)12-25-9-8-21(20(25)27)7-6-13-10-14(19(26)24-28)4-5-15(13)11-21/h1-5,10,13,15,28H,6-9,11-12H2,(H,24,26)/t13?,15?,21-/m0/s1
InChIKeyQIGZURNRRPFQKV-CQGXBLDFSA-N
MW421.32 g/mol
LogP4.13
Rot. Bonds3

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

(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 129057617) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is (6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID129057617
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC Name(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)C1=CC2CC[C@]3(CCN(Cc4c(Cl)cccc4Cl)C3=O)CC2C=C1
InChIInChI=1S/C21H22Cl2N2O3/c22-17-2-1-3-18(23)16(17)12-25-9-8-21(20(25)27)7-6-13-10-14(19(26)24-28)4-5-15(13)11-21/h1-5,10,13,15,28H,6-9,11-12H2,(H,24,26)/t13?,15?,21-/m0/s1
InChIKeyQIGZURNRRPFQKV-CQGXBLDFSA-N
XLogP4.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.13
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

(6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 129057588
(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616521
(3S)-1'-[(2,6-dichlorophenyl)methyl]-6-(2-hydroxyacetyl)spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one;sulfane
CID 162011094
(6S)-1'-[(2-chlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
CID 160793557
(7R)-1'-benzyl-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619527
8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 131686090
2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one
CID 24863747
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'-[(4-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619586
N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-(2-chlorophenyl)propyl]cyclopentanecarboxamide
CID 59999020
1-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434834

Frequently Asked Questions

What is the IUPAC name of (6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 129057617) is (6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide is O=C(NO)C1=CC2CC[C@]3(CCN(Cc4c(Cl)cccc4Cl)C3=O)CC2C=C1.
What is the InChIKey of (6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is QIGZURNRRPFQKV-CQGXBLDFSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c22-17-2-1-3-18(23)16(17)12-25-9-8-21(20(25)27)7-6-13-10-14(19(26)24-28)4-5-15(13)11-21/h1-5,10,13,15,28H,6-9,11-12H2,(H,24,26)/t13?,15?,21-/m0/s1.
What are the key properties of (6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 421.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 129057617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).