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

C14H19BrClN3O — CID 43805782

IUPAC4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3O/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)
InChIKeyQFBUOZFNWCGPTB-UHFFFAOYSA-N
MW360.68 g/mol
LogP2.13
Rot. Bonds5

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

4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 43805782) has the molecular formula C14H19BrClN3O and a molecular weight of 360.68 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID43805782
Molecular FormulaC14H19BrClN3O
Molecular Weight360.68 g/mol
Exact Mass359.04
IUPAC Name4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3O/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)
InChIKeyQFBUOZFNWCGPTB-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 52.13
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;hydrochloride
CID 119394241
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
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
2-bromo-4-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392673
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide (CID 43805782) is 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide is O=C(NCCCN1CCNCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is QFBUOZFNWCGPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O/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).
What are the key properties of 4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide?
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 360.68 g/mol, XLogP of 2.13, 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 is sourced from PubChem (CID 43805782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).