4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

C14H20BrCl2N3O — CID 119394241

IUPAC4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3O.ClH/c15-11-2-3-12(13(16)10-11)14(20)18-4-1-7-19-8-5-17-6-9-19;/h2-3,10,17H,1,4-9H2,(H,18,20);1H
InChIKeyJIGFZJLJDYQJIE-UHFFFAOYSA-N
MW397.14 g/mol
LogP2.55
Rot. Bonds5

About 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119394241) has the molecular formula C14H20BrCl2N3O and a molecular weight of 397.14 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119394241
Molecular FormulaC14H20BrCl2N3O
Molecular Weight397.14 g/mol
Exact Mass395.02
IUPAC Name4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3O.ClH/c15-11-2-3-12(13(16)10-11)14(20)18-4-1-7-19-8-5-17-6-9-19;/h2-3,10,17H,1,4-9H2,(H,18,20);1H
InChIKeyJIGFZJLJDYQJIE-UHFFFAOYSA-N
XLogP2.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.14
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394421
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
2-bromo-4-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392673
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390862

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119394241) is 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is JIGFZJLJDYQJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O.ClH/c15-11-2-3-12(13(16)10-11)14(20)18-4-1-7-19-8-5-17-6-9-19;/h2-3,10,17H,1,4-9H2,(H,18,20);1H.
What are the key properties of 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 397.14 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119394241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).