4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one

C19H18ClFN2O3 — CID 126650716

IUPAC4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one
SMILESCc1cc(O)c(-c2cc(C(=O)N3CCN(C)C(=O)C3)ccc2F)cc1Cl
InChIInChI=1S/C19H18ClFN2O3/c1-11-7-17(24)14(9-15(11)20)13-8-12(3-4-16(13)21)19(26)23-6-5-22(2)18(25)10-23/h3-4,7-9,24H,5-6,10H2,1-2H3
InChIKeySCMMNPTZBCLDGZ-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.07
Rot. Bonds2

About 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one

4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one (PubChem CID 126650716) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one
PubChem CID126650716
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one
SMILESCc1cc(O)c(-c2cc(C(=O)N3CCN(C)C(=O)C3)ccc2F)cc1Cl
InChIInChI=1S/C19H18ClFN2O3/c1-11-7-17(24)14(9-15(11)20)13-8-12(3-4-16(13)21)19(26)23-6-5-22(2)18(25)10-23/h3-4,7-9,24H,5-6,10H2,1-2H3
InChIKeySCMMNPTZBCLDGZ-UHFFFAOYSA-N
XLogP3.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893
4-[3-[5-chloro-4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenyl]-4-fluorobenzoyl]-1-methylpiperazin-2-one
CID 126651141
4-(4-amino-3-chlorobenzoyl)-1-methylpiperazin-2-one
CID 64682228
4-(3-fluoro-4-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64680099
4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 64680303
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512
4-(3-amino-4-fluorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888114
4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
CID 25269089
4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one
CID 104917774
1-methyl-4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107030966
4-(4-bromo-3-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102847803
4-(3-bromo-4-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102847827

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one (CID 126650716) is 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one is Cc1cc(O)c(-c2cc(C(=O)N3CCN(C)C(=O)C3)ccc2F)cc1Cl.
What is the InChIKey of 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one?
The InChIKey is SCMMNPTZBCLDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-11-7-17(24)14(9-15(11)20)13-8-12(3-4-16(13)21)19(26)23-6-5-22(2)18(25)10-23/h3-4,7-9,24H,5-6,10H2,1-2H3.
What are the key properties of 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one?
4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one has a molecular weight of 376.82 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorobenzoyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 126650716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).