4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one

C18H16ClFN2O2 — CID 24716325

IUPAC4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccccc2F)CCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C18H16ClFN2O2/c1-12-17(23)22(16-9-5-4-8-15(16)20)11-10-21(12)18(24)13-6-2-3-7-14(13)19/h2-9,12H,10-11H2,1H3
InChIKeyMTSAYKTXWNKMQV-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.36
Rot. Bonds2

About 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one

4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one (PubChem CID 24716325) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one
PubChem CID24716325
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccccc2F)CCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C18H16ClFN2O2/c1-12-17(23)22(16-9-5-4-8-15(16)20)11-10-21(12)18(24)13-6-2-3-7-14(13)19/h2-9,12H,10-11H2,1H3
InChIKeyMTSAYKTXWNKMQV-UHFFFAOYSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93321596
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321676
(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292395
1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 24716617
4-(2-chlorobenzoyl)-1-(3-fluorophenyl)-3-methylpiperazin-2-one
CID 24716622
(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 93322816
(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93321473
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93323237
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 24716736
(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322176

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one (CID 24716325) is 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one is CC1C(=O)N(c2ccccc2F)CCN1C(=O)c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one?
The InChIKey is MTSAYKTXWNKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-12-17(23)22(16-9-5-4-8-15(16)20)11-10-21(12)18(24)13-6-2-3-7-14(13)19/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one?
4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one has a molecular weight of 346.79 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).