2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride

C18H19Cl2F2N3O — CID 120771117

IUPAC2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(Cl)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18ClF2N3O.ClH/c19-13-3-1-2-12(8-13)17-10-22-6-7-24(17)11-18(25)23-16-5-4-14(20)9-15(16)21;/h1-5,8-9,17,22H,6-7,10-11H2,(H,23,25);1H
InChIKeyBNIUHMOXXXUFHM-UHFFFAOYSA-N
MW402.27 g/mol
LogP3.62
Rot. Bonds4

About 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride

2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride (PubChem CID 120771117) has the molecular formula C18H19Cl2F2N3O and a molecular weight of 402.27 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
PubChem CID120771117
Molecular FormulaC18H19Cl2F2N3O
Molecular Weight402.27 g/mol
Exact Mass401.09
IUPAC Name2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(Cl)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18ClF2N3O.ClH/c19-13-3-1-2-12(8-13)17-10-22-6-7-24(17)11-18(25)23-16-5-4-14(20)9-15(16)21;/h1-5,8-9,17,22H,6-7,10-11H2,(H,23,25);1H
InChIKeyBNIUHMOXXXUFHM-UHFFFAOYSA-N
XLogP3.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120771171
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-(2,4-difluorophenyl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713919
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
N-(2-chloro-4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754763
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride (CID 120771117) is 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccc(Cl)c1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride?
The InChIKey is BNIUHMOXXXUFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N3O.ClH/c19-13-3-1-2-12(8-13)17-10-22-6-7-24(17)11-18(25)23-16-5-4-14(20)9-15(16)21;/h1-5,8-9,17,22H,6-7,10-11H2,(H,23,25);1H.
What are the key properties of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride?
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride has a molecular weight of 402.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120771117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).