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

C23H26Cl2N2O2 — CID 143538570

IUPACchlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCCC(CC)C1NC(=O)CC[C@]12C(=O)Nc1cc(Cl)ccc12.Clc1ccccc1
InChIInChI=1S/C17H21ClN2O2.C6H5Cl/c1-3-10(4-2)15-17(8-7-14(21)20-15)12-6-5-11(18)9-13(12)19-16(17)22;7-6-4-2-1-3-5-6/h5-6,9-10,15H,3-4,7-8H2,1-2H3,(H,19,22)(H,20,21);1-5H/t15?,17-;/m1./s1
InChIKeySIDYHJIBNLSQPX-PKESZJFOSA-N
MW433.38 g/mol
LogP5.58
Rot. Bonds3

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

chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 143538570) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Namechlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID143538570
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC Namechlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCCC(CC)C1NC(=O)CC[C@]12C(=O)Nc1cc(Cl)ccc12.Clc1ccccc1
InChIInChI=1S/C17H21ClN2O2.C6H5Cl/c1-3-10(4-2)15-17(8-7-14(21)20-15)12-6-5-11(18)9-13(12)19-16(17)22;7-6-4-2-1-3-5-6/h5-6,9-10,15H,3-4,7-8H2,1-2H3,(H,19,22)(H,20,21);1-5H/t15?,17-;/m1./s1
InChIKeySIDYHJIBNLSQPX-PKESZJFOSA-N
XLogP5.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.58
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
(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
CID 143538635
chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538505
chlorobenzene;(3R,6'R)-6-chloro-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538330
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
CID 24875699
(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
(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'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
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 143538645
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
6-chloro-4'-(3-chlorophenyl)-6'-phenylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91616341

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 143538570) is chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione is CCC(CC)C1NC(=O)CC[C@]12C(=O)Nc1cc(Cl)ccc12.Clc1ccccc1.
What is the InChIKey of chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is SIDYHJIBNLSQPX-PKESZJFOSA-N. The full InChI is InChI=1S/C17H21ClN2O2.C6H5Cl/c1-3-10(4-2)15-17(8-7-14(21)20-15)12-6-5-11(18)9-13(12)19-16(17)22;7-6-4-2-1-3-5-6/h5-6,9-10,15H,3-4,7-8H2,1-2H3,(H,19,22)(H,20,21);1-5H/t15?,17-;/m1./s1.
What are the key properties of chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 433.38 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 143538570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).