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

C25H23Cl2FN2O2 — CID 143538645

IUPACchlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCOc1ccc(F)cc1[C@H]1NCCC[C@]12C(=O)Nc1cc(Cl)ccc12.Clc1ccccc1
InChIInChI=1S/C19H18ClFN2O2.C6H5Cl/c1-25-16-6-4-12(21)10-13(16)17-19(7-2-8-22-17)14-5-3-11(20)9-15(14)23-18(19)24;7-6-4-2-1-3-5-6/h3-6,9-10,17,22H,2,7-8H2,1H3,(H,23,24);1-5H/t17-,19-;/m1./s1
InChIKeyNLLGQSDTGOJIKY-POCMBTLOSA-N
MW473.38 g/mol
LogP6.14
Rot. Bonds2

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

chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 143538645) has the molecular formula C25H23Cl2FN2O2 and a molecular weight of 473.38 g/mol. Its IUPAC name is chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Namechlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID143538645
Molecular FormulaC25H23Cl2FN2O2
Molecular Weight473.38 g/mol
Exact Mass472.11
IUPAC Namechlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCOc1ccc(F)cc1[C@H]1NCCC[C@]12C(=O)Nc1cc(Cl)ccc12.Clc1ccccc1
InChIInChI=1S/C19H18ClFN2O2.C6H5Cl/c1-25-16-6-4-12(21)10-13(16)17-19(7-2-8-22-17)14-5-3-11(20)9-15(14)23-18(19)24;7-6-4-2-1-3-5-6/h3-6,9-10,17,22H,2,7-8H2,1H3,(H,23,24);1-5H/t17-,19-;/m1./s1
InChIKeyNLLGQSDTGOJIKY-POCMBTLOSA-N
XLogP6.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2'S,3R)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52897641
(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52897645
chlorobenzene;(3R,6'R)-6-chloro-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538330
chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538505
(3R)-6-chloro-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
CID 143538635
(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
(2'S,3R)-2'-(2,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905379
(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905363
(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-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538298
6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 76568037
methyl 1-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]cyclobutane-1-carboxylate
CID 76567912

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 143538645) is chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one is COc1ccc(F)cc1[C@H]1NCCC[C@]12C(=O)Nc1cc(Cl)ccc12.Clc1ccccc1.
What is the InChIKey of chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is NLLGQSDTGOJIKY-POCMBTLOSA-N. The full InChI is InChI=1S/C19H18ClFN2O2.C6H5Cl/c1-25-16-6-4-12(21)10-13(16)17-19(7-2-8-22-17)14-5-3-11(20)9-15(14)23-18(19)24;7-6-4-2-1-3-5-6/h3-6,9-10,17,22H,2,7-8H2,1H3,(H,23,24);1-5H/t17-,19-;/m1./s1.
What are the key properties of chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 473.38 g/mol, XLogP of 6.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;(2'R,3R)-6-chloro-2'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 143538645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).