4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one

C18H16ClFN2O2 — CID 110657002

IUPAC4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2ccc(Cl)cc2)C1c1ccccc1F
InChIInChI=1S/C18H16ClFN2O2/c19-13-7-5-12(6-8-13)11-16(23)22-10-9-21-18(24)17(22)14-3-1-2-4-15(14)20/h1-8,17H,9-11H2,(H,21,24)
InChIKeyMTZILKBFBXQTEN-UHFFFAOYSA-N
MW346.79 g/mol
LogP2.72
Rot. Bonds3

About 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one

4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one (PubChem CID 110657002) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
PubChem CID110657002
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2ccc(Cl)cc2)C1c1ccccc1F
InChIInChI=1S/C18H16ClFN2O2/c19-13-7-5-12(6-8-13)11-16(23)22-10-9-21-18(24)17(22)14-3-1-2-4-15(14)20/h1-8,17H,9-11H2,(H,21,24)
InChIKeyMTZILKBFBXQTEN-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657027
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
CID 166209794
2-[4-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110657054
4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one
CID 110657064
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one
CID 146108844
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one (CID 110657002) is 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one is O=C1NCCN(C(=O)Cc2ccc(Cl)cc2)C1c1ccccc1F.
What is the InChIKey of 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one?
The InChIKey is MTZILKBFBXQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-13-7-5-12(6-8-13)11-16(23)22-10-9-21-18(24)17(22)14-3-1-2-4-15(14)20/h1-8,17H,9-11H2,(H,21,24).
What are the key properties of 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one?
4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one has a molecular weight of 346.79 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 110657002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).