N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

C18H19Cl3FN3O — CID 120756950

IUPACN-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2FN3O.ClH/c19-14-5-2-6-15(20)18(14)23-17(25)11-24-8-7-22-10-16(24)12-3-1-4-13(21)9-12;/h1-6,9,16,22H,7-8,10-11H2,(H,23,25);1H
InChIKeyMRSNBQSNGPMBDB-UHFFFAOYSA-N
MW418.73 g/mol
LogP4.14
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120756950) has the molecular formula C18H19Cl3FN3O and a molecular weight of 418.73 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120756950
Molecular FormulaC18H19Cl3FN3O
Molecular Weight418.73 g/mol
Exact Mass417.06
IUPAC NameN-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2FN3O.ClH/c19-14-5-2-6-15(20)18(14)23-17(25)11-24-8-7-22-10-16(24)12-3-1-4-13(21)9-12;/h1-6,9,16,22H,7-8,10-11H2,(H,23,25);1H
InChIKeyMRSNBQSNGPMBDB-UHFFFAOYSA-N
XLogP4.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.73
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757022
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120756950) is N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is MRSNBQSNGPMBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O.ClH/c19-14-5-2-6-15(20)18(14)23-17(25)11-24-8-7-22-10-16(24)12-3-1-4-13(21)9-12;/h1-6,9,16,22H,7-8,10-11H2,(H,23,25);1H.
What are the key properties of N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 418.73 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120756950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).