4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one

C17H14BrClN2O2 — CID 110644742

IUPAC4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccccc2Br)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H14BrClN2O2/c18-14-4-2-1-3-13(14)17(23)21-10-9-20-16(22)15(21)11-5-7-12(19)8-6-11/h1-8,15H,9-10H2,(H,20,22)
InChIKeyUFGGWSQMAQNHBF-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.42
Rot. Bonds2

About 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one

4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one (PubChem CID 110644742) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
PubChem CID110644742
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC Name4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccccc2Br)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H14BrClN2O2/c18-14-4-2-1-3-13(14)17(23)21-10-9-20-16(22)15(21)11-5-7-12(19)8-6-11/h1-8,15H,9-10H2,(H,20,22)
InChIKeyUFGGWSQMAQNHBF-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110420010
4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657163
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
4-(3-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644743
3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
CID 97014985
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one
CID 110420415
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
(7S,11bS)-7-(4-chlorophenyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
CID 70381272

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one?
The IUPAC name of 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one (CID 110644742) is 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one?
The canonical SMILES for 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one is O=C1NCCN(C(=O)c2ccccc2Br)C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one?
The InChIKey is UFGGWSQMAQNHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c18-14-4-2-1-3-13(14)17(23)21-10-9-20-16(22)15(21)11-5-7-12(19)8-6-11/h1-8,15H,9-10H2,(H,20,22).
What are the key properties of 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one?
4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one has a molecular weight of 393.67 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 110644742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).