N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide

C13H17ClFN3O — CID 8896475

IUPACN-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C13H17ClFN3O/c1-17-4-6-18(7-5-17)9-13(19)16-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19)
InChIKeyKPHBIGXPFZWPAG-UHFFFAOYSA-N
MW285.75 g/mol
LogP1.66
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 8896475) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID8896475
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C13H17ClFN3O/c1-17-4-6-18(7-5-17)9-13(19)16-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19)
InChIKeyKPHBIGXPFZWPAG-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720879
N-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 51170465
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 120774607
N-(5-chloro-2-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146893

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 8896475) is N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2cc(Cl)ccc2F)CC1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is KPHBIGXPFZWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O/c1-17-4-6-18(7-5-17)9-13(19)16-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 285.75 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8896475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).