N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide

C12H13ClFN3O2 — CID 8962997

IUPACN-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(F)cc2Cl)CCN1
InChIInChI=1S/C12H13ClFN3O2/c13-9-5-8(14)1-2-10(9)16-12(19)7-17-4-3-15-11(18)6-17/h1-2,5H,3-4,6-7H2,(H,15,18)(H,16,19)
InChIKeyJRKZJGPMDXIPEJ-UHFFFAOYSA-N
MW285.71 g/mol
LogP0.85
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8962997) has the molecular formula C12H13ClFN3O2 and a molecular weight of 285.71 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8962997
Molecular FormulaC12H13ClFN3O2
Molecular Weight285.71 g/mol
Exact Mass285.07
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(F)cc2Cl)CCN1
InChIInChI=1S/C12H13ClFN3O2/c13-9-5-8(14)1-2-10(9)16-12(19)7-17-4-3-15-11(18)6-17/h1-2,5H,3-4,6-7H2,(H,15,18)(H,16,19)
InChIKeyJRKZJGPMDXIPEJ-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361365
2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2656976
N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63004252
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-chloro-4-fluorophenyl)acetamide
CID 60972510
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 29276726
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 8591691
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681562
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide (CID 8962997) is N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide is O=C1CN(CC(=O)Nc2ccc(F)cc2Cl)CCN1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is JRKZJGPMDXIPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O2/c13-9-5-8(14)1-2-10(9)16-12(19)7-17-4-3-15-11(18)6-17/h1-2,5H,3-4,6-7H2,(H,15,18)(H,16,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 285.71 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8962997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).