N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride

C21H25Cl3FN3O — CID 69210953

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cc(F)cc(Cl)c1)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C21H23ClFN3O.2ClH/c22-18-9-15(10-19(23)11-18)14-25-20(27)21(26-7-5-24-6-8-26)12-16-3-1-2-4-17(16)13-21;;/h1-4,9-11,24H,5-8,12-14H2,(H,25,27);2*1H
InChIKeySZLYIQVFCDHLTN-UHFFFAOYSA-N
MW460.81 g/mol
LogP3.38
Rot. Bonds4

About N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride

N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (PubChem CID 69210953) has the molecular formula C21H25Cl3FN3O and a molecular weight of 460.81 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
PubChem CID69210953
Molecular FormulaC21H25Cl3FN3O
Molecular Weight460.81 g/mol
Exact Mass459.10
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1cc(F)cc(Cl)c1)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C21H23ClFN3O.2ClH/c22-18-9-15(10-19(23)11-18)14-25-20(27)21(26-7-5-24-6-8-26)12-16-3-1-2-4-17(16)13-21;;/h1-4,9-11,24H,5-8,12-14H2,(H,25,27);2*1H
InChIKeySZLYIQVFCDHLTN-UHFFFAOYSA-N
XLogP3.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.81
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 141108971
N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147747
N-[(4-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147777
N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 90894930
N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207371
N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207344
N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride
CID 142778710
N-[(3-chloro-5-fluorophenyl)methyl]-2-[4-[(3-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide
CID 142778675
N-[(2,6-difluoro-4-pyridinyl)methyl]-1-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 142775560
1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 71815758
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
CID 71745053
N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide
CID 142778693

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (CID 69210953) is N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1cc(F)cc(Cl)c1)C1(N2CCNCC2)Cc2ccccc2C1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The InChIKey is SZLYIQVFCDHLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O.2ClH/c22-18-9-15(10-19(23)11-18)14-25-20(27)21(26-7-5-24-6-8-26)12-16-3-1-2-4-17(16)13-21;;/h1-4,9-11,24H,5-8,12-14H2,(H,25,27);2*1H.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride has a molecular weight of 460.81 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 69210953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).