4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one

C20H19ClF2N2O2 — CID 154848686

IUPAC4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one
SMILESCCc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3F)C(=O)C2)cc1Cl
InChIInChI=1S/C20H19ClF2N2O2/c1-2-13-3-4-14(9-17(13)21)20(27)25-8-7-24(19(26)12-25)11-15-5-6-16(22)10-18(15)23/h3-6,9-10H,2,7-8,11-12H2,1H3
InChIKeyFZWQJTZTPDMCNJ-UHFFFAOYSA-N
MW392.83 g/mol
LogP3.67
Rot. Bonds4

About 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one

4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one (PubChem CID 154848686) has the molecular formula C20H19ClF2N2O2 and a molecular weight of 392.83 g/mol. Its IUPAC name is 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one
PubChem CID154848686
Molecular FormulaC20H19ClF2N2O2
Molecular Weight392.83 g/mol
Exact Mass392.11
IUPAC Name4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one
SMILESCCc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3F)C(=O)C2)cc1Cl
InChIInChI=1S/C20H19ClF2N2O2/c1-2-13-3-4-14(9-17(13)21)20(27)25-8-7-24(19(26)12-25)11-15-5-6-16(22)10-18(15)23/h3-6,9-10H,2,7-8,11-12H2,1H3
InChIKeyFZWQJTZTPDMCNJ-UHFFFAOYSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Z944
CID 44540045
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
N-methyl-SSR504734
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CID 53249967
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
Dipeptidyl nitrile inhibitor, 7
CID 44224117
1-(3-Chlorobenzoyl)-4-methylpiperazine
CID 550876
1-(3-Chlorobenzoyl)-4-(2-fluorobenzoyl)piperazine
CID 660542
4-((4-Benzoylpiperazin-1-yl)methyl)-3-chlorobenzonitrile
CID 667261
N-({[1-(4-Chloro-benzyl)-piperidin-4-ylmethyl]-carbamoyl}-methyl)-3-trifluoromethyl-benzamide
CID 508750
(4-Benzylpiperidin-1-yl)(2-chlorophenyl)methanone
CID 667590

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one (CID 154848686) is 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one is CCc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3F)C(=O)C2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one?
The InChIKey is FZWQJTZTPDMCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O2/c1-2-13-3-4-14(9-17(13)21)20(27)25-8-7-24(19(26)12-25)11-15-5-6-16(22)10-18(15)23/h3-6,9-10H,2,7-8,11-12H2,1H3.
What are the key properties of 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one?
4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one has a molecular weight of 392.83 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 154848686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).