6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile

C19H17ClFN3 — CID 13154050

IUPAC6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile
SMILESN#CN1CCC2(CC1)CN(c1ccccc1F)c1cc(Cl)ccc12
InChIInChI=1S/C19H17ClFN3/c20-14-5-6-15-18(11-14)24(17-4-2-1-3-16(17)21)12-19(15)7-9-23(13-22)10-8-19/h1-6,11H,7-10,12H2
InChIKeySUNROEZQTFQUNB-UHFFFAOYSA-N
MW341.82 g/mol
LogP4.45
Rot. Bonds1

About 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile

6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile (PubChem CID 13154050) has the molecular formula C19H17ClFN3 and a molecular weight of 341.82 g/mol. Its IUPAC name is 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile.

Molecular Properties

Compound Name6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile
PubChem CID13154050
Molecular FormulaC19H17ClFN3
Molecular Weight341.82 g/mol
Exact Mass341.11
IUPAC Name6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile
SMILESN#CN1CCC2(CC1)CN(c1ccccc1F)c1cc(Cl)ccc12
InChIInChI=1S/C19H17ClFN3/c20-14-5-6-15-18(11-14)24(17-4-2-1-3-16(17)21)12-19(15)7-9-23(13-22)10-8-19/h1-6,11H,7-10,12H2
InChIKeySUNROEZQTFQUNB-UHFFFAOYSA-N
XLogP4.45
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2-fluoroethyl 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 137652513
1-(4-Chlorophenyl)-1'-methylspiro[indoline-3,4'-piperidine]
CID 12801589
1-(4-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine];hydrobromide
CID 12801592
6-Chloro-1-(2-fluorophenyl)-1'-methylspiro[indoline-3,4'-piperidine] maleate
CID 12801622
1-(2-Aminophenyl)-6-chlorospiro[indoline-3,4'-piperidine]dihydrochloride
CID 12801632
2-(6-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)aniline;dihydrochloride
CID 12801634
(4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
CID 44579277
1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[2H-indole-3,4'-piperidine]
CID 172436049
2-(3-Chlorophenyl)-1-phenyl-1-(trifluoromethyl)-1,1a,2,6b-tetrahydrocyclopropa[b]indole
CID 172643137
(2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 134958347
4-Chloro-1-(4-fluorophenyl)-2,3-dihydroindole
CID 9881378
1'-[(3,4-Dichlorophenyl)methyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
CID 11417210

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile?
The IUPAC name of 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile (CID 13154050) is 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile.
What is the SMILES notation for 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile?
The canonical SMILES for 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile is N#CN1CCC2(CC1)CN(c1ccccc1F)c1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile?
The InChIKey is SUNROEZQTFQUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3/c20-14-5-6-15-18(11-14)24(17-4-2-1-3-16(17)21)12-19(15)7-9-23(13-22)10-8-19/h1-6,11H,7-10,12H2.
What are the key properties of 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile?
6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile has a molecular weight of 341.82 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-fluorophenyl)spiro[2H-indole-3,4'-piperidine]-1'-carbonitrile is sourced from PubChem (CID 13154050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).