chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C26H24Cl2N2O2 — CID 143538505

IUPACchlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCc1cccc([C@H]2NC(=O)CC[C@]23C(=O)Nc2cc(Cl)ccc23)c1C.Clc1ccccc1
InChIInChI=1S/C20H19ClN2O2.C6H5Cl/c1-11-4-3-5-14(12(11)2)18-20(9-8-17(24)23-18)15-7-6-13(21)10-16(15)22-19(20)25;7-6-4-2-1-3-5-6/h3-7,10,18H,8-9H2,1-2H3,(H,22,25)(H,23,24);1-5H/t18-,20-;/m1./s1
InChIKeyVKDUOAVVQHIQFD-OVAHNPOGSA-N
MW467.40 g/mol
LogP6.14
Rot. Bonds1

About chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 143538505) has the molecular formula C26H24Cl2N2O2 and a molecular weight of 467.40 g/mol. Its IUPAC name is chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Namechlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID143538505
Molecular FormulaC26H24Cl2N2O2
Molecular Weight467.40 g/mol
Exact Mass466.12
IUPAC Namechlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCc1cccc([C@H]2NC(=O)CC[C@]23C(=O)Nc2cc(Cl)ccc23)c1C.Clc1ccccc1
InChIInChI=1S/C20H19ClN2O2.C6H5Cl/c1-11-4-3-5-14(12(11)2)18-20(9-8-17(24)23-18)15-7-6-13(21)10-16(15)22-19(20)25;7-6-4-2-1-3-5-6/h3-7,10,18H,8-9H2,1-2H3,(H,22,25)(H,23,24);1-5H/t18-,20-;/m1./s1
InChIKeyVKDUOAVVQHIQFD-OVAHNPOGSA-N
XLogP6.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538298
chlorobenzene;(3R,6'R)-6-chloro-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538330
chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538570
(3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane
CID 143819943
(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione;chlorobenzene
CID 143820043
(3R,6'S)-6'-[3-bromo-2-fluoro-6-(2-hydroxyethoxy)phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione;chlorobenzene
CID 143538231
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143820044
chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 143538645
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide
CID 143820078

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 143538505) is chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is Cc1cccc([C@H]2NC(=O)CC[C@]23C(=O)Nc2cc(Cl)ccc23)c1C.Clc1ccccc1.
What is the InChIKey of chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is VKDUOAVVQHIQFD-OVAHNPOGSA-N. The full InChI is InChI=1S/C20H19ClN2O2.C6H5Cl/c1-11-4-3-5-14(12(11)2)18-20(9-8-17(24)23-18)15-7-6-13(21)10-16(15)22-19(20)25;7-6-4-2-1-3-5-6/h3-7,10,18H,8-9H2,1-2H3,(H,22,25)(H,23,24);1-5H/t18-,20-;/m1./s1.
What are the key properties of chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 467.40 g/mol, XLogP of 6.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 143538505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).