1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile

C25H16Cl2N4O2 — CID 15366589

IUPAC1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
SMILESN#CC1C(=O)N(c2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)CC12C(=O)Nc1ccccc12
InChIInChI=1S/C25H16Cl2N4O2/c26-15-5-9-17(10-6-15)29-22-13-25(19-3-1-2-4-21(19)30-24(25)33)20(14-28)23(32)31(22)18-11-7-16(27)8-12-18/h1-12,20H,13H2,(H,30,33)/b29-22+
InChIKeyTYDVYNROQLLCIP-QUPMIFSKSA-N
MW475.34 g/mol
LogP5.49
Rot. Bonds2

About 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile

1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile (PubChem CID 15366589) has the molecular formula C25H16Cl2N4O2 and a molecular weight of 475.34 g/mol. Its IUPAC name is 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile.

Molecular Properties

Compound Name1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
PubChem CID15366589
Molecular FormulaC25H16Cl2N4O2
Molecular Weight475.34 g/mol
Exact Mass474.07
IUPAC Name1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
SMILESN#CC1C(=O)N(c2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)CC12C(=O)Nc1ccccc12
InChIInChI=1S/C25H16Cl2N4O2/c26-15-5-9-17(10-6-15)29-22-13-25(19-3-1-2-4-21(19)30-24(25)33)20(14-28)23(32)31(22)18-11-7-16(27)8-12-18/h1-12,20H,13H2,(H,30,33)/b29-22+
InChIKeyTYDVYNROQLLCIP-QUPMIFSKSA-N
XLogP5.49
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.34
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366590
2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 5073424
(3'aS,8'aS,8'bR)-2'-(4-chlorophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 10894816
CID 139226618
CID 139226618
(1R,3R,3aS,6aS)-5-(4-chlorophenyl)-1-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 124791490
methyl 2'-amino-1'-(4-chlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23858284
(3S,5'S)-5'-(4-chlorophenyl)-1'-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3',3'-dicarbonitrile
CID 101474683
(3S,3'S,8'S)-3'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-5,6,7,8-tetrahydro-3H-pyrrolizine]-1',1'-dicarbonitrile
CID 101474693
(1S,2S)-1-hydroxyspiro[1,3-dihydroindene-2,3'-1H-indole]-2'-one
CID 134951476
1'-(4-chlorophenyl)-2'-(2-oxo-1,3-dihydroindol-3-yl)spiro[1H-indole-3,5'-pyrrolidine]-2,3'-dione
CID 102590867
(3R,3'R)-1'-(4-methylpyrimidin-2-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 124872105
(3S,3'R)-2-oxo-1'-(2,5,6-trimethylpyrimidin-4-yl)spiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile
CID 124872060

Frequently Asked Questions

What is the IUPAC name of 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile?
The IUPAC name of 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile (CID 15366589) is 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile.
What is the SMILES notation for 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile?
The canonical SMILES for 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile is N#CC1C(=O)N(c2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)CC12C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile?
The InChIKey is TYDVYNROQLLCIP-QUPMIFSKSA-N. The full InChI is InChI=1S/C25H16Cl2N4O2/c26-15-5-9-17(10-6-15)29-22-13-25(19-3-1-2-4-21(19)30-24(25)33)20(14-28)23(32)31(22)18-11-7-16(27)8-12-18/h1-12,20H,13H2,(H,30,33)/b29-22+.
What are the key properties of 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile?
1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile has a molecular weight of 475.34 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-chlorophenyl)-6'-(4-chlorophenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile is sourced from PubChem (CID 15366589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).