5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide

C14H19BrFN3O — CID 43443297

IUPAC5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFN3O/c15-11-2-3-13(16)12(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)
InChIKeyRMAYSPVMYRINKY-UHFFFAOYSA-N
MW344.23 g/mol
LogP1.61
Rot. Bonds5

About 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide

5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 43443297) has the molecular formula C14H19BrFN3O and a molecular weight of 344.23 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID43443297
Molecular FormulaC14H19BrFN3O
Molecular Weight344.23 g/mol
Exact Mass343.07
IUPAC Name5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFN3O/c15-11-2-3-13(16)12(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)
InChIKeyRMAYSPVMYRINKY-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 51.61
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-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391077
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 82263442
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 39301758
5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445288
2-fluoro-5-nitro-N-(2-piperazin-1-ylethyl)benzamide
CID 43808795
5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 113219048

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide (CID 43443297) is 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide is O=C(NCCCN1CCNCC1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is RMAYSPVMYRINKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O/c15-11-2-3-13(16)12(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 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 344.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 43443297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).