4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide

C18H19BrClN3O — CID 86969627

IUPAC4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(Cc3ccc(Br)cc3Cl)CC2)cc1
InChIInChI=1S/C18H19BrClN3O/c19-15-4-1-14(17(20)11-15)12-22-7-9-23(10-8-22)16-5-2-13(3-6-16)18(21)24/h1-6,11H,7-10,12H2,(H2,21,24)
InChIKeyKGDJHGZYDBMWME-UHFFFAOYSA-N
MW408.73 g/mol
LogP3.52
Rot. Bonds4

About 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide

4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide (PubChem CID 86969627) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide
PubChem CID86969627
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC Name4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(Cc3ccc(Br)cc3Cl)CC2)cc1
InChIInChI=1S/C18H19BrClN3O/c19-15-4-1-14(17(20)11-15)12-22-7-9-23(10-8-22)16-5-2-13(3-6-16)18(21)24/h1-6,11H,7-10,12H2,(H2,21,24)
InChIKeyKGDJHGZYDBMWME-UHFFFAOYSA-N
XLogP3.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
CID 91800436
3-chloro-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzoate
CID 156641365
1-[(4-bromo-2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964607
4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol
CID 8689938
4-bromo-N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17318072
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpiperidin-4-ol
CID 115695637
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide
CID 51106897
4-[4-(4-bromo-2-nitrophenyl)piperazin-1-yl]benzamide
CID 133307548
4-[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]benzamide
CID 86969186
4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide
CID 56792247
4-[4-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]benzamide
CID 86969602
4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride
CID 18545464

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide (CID 86969627) is 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(Cc3ccc(Br)cc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide?
The InChIKey is KGDJHGZYDBMWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O/c19-15-4-1-14(17(20)11-15)12-22-7-9-23(10-8-22)16-5-2-13(3-6-16)18(21)24/h1-6,11H,7-10,12H2,(H2,21,24).
What are the key properties of 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide?
4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide has a molecular weight of 408.73 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).