4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one

C19H17Cl2FN2O2 — CID 46036100

IUPAC4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(F)c(N2CCN(C(=O)c3ccc(Cl)cc3Cl)C(C)C2=O)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-11-3-6-16(22)17(9-11)24-8-7-23(12(2)18(24)25)19(26)14-5-4-13(20)10-15(14)21/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyAAJXEMINZVXIPL-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.32
Rot. Bonds2

About 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one

4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one (PubChem CID 46036100) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
PubChem CID46036100
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(F)c(N2CCN(C(=O)c3ccc(Cl)cc3Cl)C(C)C2=O)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-11-3-6-16(22)17(9-11)24-8-7-23(12(2)18(24)25)19(26)14-5-4-13(20)10-15(14)21/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyAAJXEMINZVXIPL-UHFFFAOYSA-N
XLogP4.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one (CID 46036100) is 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one is Cc1ccc(F)c(N2CCN(C(=O)c3ccc(Cl)cc3Cl)C(C)C2=O)c1.
What is the InChIKey of 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
The InChIKey is AAJXEMINZVXIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c1-11-3-6-16(22)17(9-11)24-8-7-23(12(2)18(24)25)19(26)14-5-4-13(20)10-15(14)21/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one has a molecular weight of 395.26 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorobenzoyl)-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).