[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone

C18H15BrClFN2O2 — CID 33188308

IUPAC[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C18H15BrClFN2O2/c19-16-11-14(21)4-5-15(16)18(25)23-8-6-22(7-9-23)17(24)12-2-1-3-13(20)10-12/h1-5,10-11H,6-9H2
InChIKeyZWJAZWPPGOFORN-UHFFFAOYSA-N
MW425.69 g/mol
LogP3.84
Rot. Bonds2

About [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone

[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 33188308) has the molecular formula C18H15BrClFN2O2 and a molecular weight of 425.69 g/mol. Its IUPAC name is [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
PubChem CID33188308
Molecular FormulaC18H15BrClFN2O2
Molecular Weight425.69 g/mol
Exact Mass424.00
IUPAC Name[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C18H15BrClFN2O2/c19-16-11-14(21)4-5-15(16)18(25)23-8-6-22(7-9-23)17(24)12-2-1-3-13(20)10-12/h1-5,10-11H,6-9H2
InChIKeyZWJAZWPPGOFORN-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.69
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26312772
[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 32521987
[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33185375
(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366065
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33138783
(E)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 33135242
(2-bromo-4-fluorophenyl)-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone
CID 27808762
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
2-(3-chlorophenyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110818175
[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 39717758
(3-chlorophenyl)-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 31833564
3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
CID 108559879

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone (CID 33188308) is [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2Br)CC1.
What is the InChIKey of [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is ZWJAZWPPGOFORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN2O2/c19-16-11-14(21)4-5-15(16)18(25)23-8-6-22(7-9-23)17(24)12-2-1-3-13(20)10-12/h1-5,10-11H,6-9H2.
What are the key properties of [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 425.69 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 33188308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).