(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C25H18Cl2F2N2O3 — CID 24788252

IUPAC(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCOc1ccc(F)c(F)c1[C@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C25H18Cl2F2N2O3/c1-34-19-8-7-17(28)22(29)21(19)23-25(15-6-5-14(27)10-18(15)30-24(25)33)16(11-20(32)31-23)12-3-2-4-13(26)9-12/h2-10,16,23H,11H2,1H3,(H,30,33)(H,31,32)/t16-,23+,25-/m0/s1
InChIKeyBLVOCSLIELAUCB-VVHBXYOFSA-N
MW503.33 g/mol
LogP5.52
Rot. Bonds3

About (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 24788252) has the molecular formula C25H18Cl2F2N2O3 and a molecular weight of 503.33 g/mol. Its IUPAC name is (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID24788252
Molecular FormulaC25H18Cl2F2N2O3
Molecular Weight503.33 g/mol
Exact Mass502.07
IUPAC Name(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCOc1ccc(F)c(F)c1[C@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C25H18Cl2F2N2O3/c1-34-19-8-7-17(28)22(29)21(19)23-25(15-6-5-14(27)10-18(15)30-24(25)33)16(11-20(32)31-23)12-3-2-4-13(26)9-12/h2-10,16,23H,11H2,1H3,(H,30,33)(H,31,32)/t16-,23+,25-/m0/s1
InChIKeyBLVOCSLIELAUCB-VVHBXYOFSA-N
XLogP5.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.33
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 24788252) is (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is COc1ccc(F)c(F)c1[C@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is BLVOCSLIELAUCB-VVHBXYOFSA-N. The full InChI is InChI=1S/C25H18Cl2F2N2O3/c1-34-19-8-7-17(28)22(29)21(19)23-25(15-6-5-14(27)10-18(15)30-24(25)33)16(11-20(32)31-23)12-3-2-4-13(26)9-12/h2-10,16,23H,11H2,1H3,(H,30,33)(H,31,32)/t16-,23+,25-/m0/s1.
What are the key properties of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 503.33 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2,3-difluoro-6-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 24788252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).