2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride

C20H21Cl3N2O — CID 68630966

IUPAC2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1Cc2ccccc2C12CCNCC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N2O.ClH/c21-14-5-6-15(17(22)12-14)19(25)24-18-11-13-3-1-2-4-16(13)20(18)7-9-23-10-8-20;/h1-6,12,18,23H,7-11H2,(H,24,25);1H
InChIKeyAEUQSMYHIAWZLF-UHFFFAOYSA-N
MW411.76 g/mol
LogP4.39
Rot. Bonds2

About 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride

2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride (PubChem CID 68630966) has the molecular formula C20H21Cl3N2O and a molecular weight of 411.76 g/mol. Its IUPAC name is 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride
PubChem CID68630966
Molecular FormulaC20H21Cl3N2O
Molecular Weight411.76 g/mol
Exact Mass410.07
IUPAC Name2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1Cc2ccccc2C12CCNCC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N2O.ClH/c21-14-5-6-15(17(22)12-14)19(25)24-18-11-13-3-1-2-4-16(13)20(18)7-9-23-10-8-20;/h1-6,12,18,23H,7-11H2,(H,24,25);1H
InChIKeyAEUQSMYHIAWZLF-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.76
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[(2R)-1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
CID 70217611
tert-butyl 2-[(4-chloro-2-ethylbenzoyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 70215258
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
4-chloro-2-methyl-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
CID 70218624
2-chloro-4-iodo-N-[1'-(1-methylimidazol-4-yl)sulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]benzamide
CID 163663718
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 46520269
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
CID 66396102
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride?
The IUPAC name of 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride (CID 68630966) is 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride?
The canonical SMILES for 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride is Cl.O=C(NC1Cc2ccccc2C12CCNCC2)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride?
The InChIKey is AEUQSMYHIAWZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O.ClH/c21-14-5-6-15(17(22)12-14)19(25)24-18-11-13-3-1-2-4-16(13)20(18)7-9-23-10-8-20;/h1-6,12,18,23H,7-11H2,(H,24,25);1H.
What are the key properties of 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride?
2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride has a molecular weight of 411.76 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-spiro[1,2-dihydroindene-3,4'-piperidine]-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 68630966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).