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

C14H19BrFN3O — CID 43443290

IUPAC3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H19BrFN3O/c15-12-8-11(9-13(16)10-12)14(20)18-2-1-5-19-6-3-17-4-7-19/h8-10,17H,1-7H2,(H,18,20)
InChIKeyRZLBMQFFBMPTBA-UHFFFAOYSA-N
MW344.23 g/mol
LogP1.61
Rot. Bonds5

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

3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 43443290) has the molecular formula C14H19BrFN3O and a molecular weight of 344.23 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID43443290
Molecular FormulaC14H19BrFN3O
Molecular Weight344.23 g/mol
Exact Mass343.07
IUPAC Name3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H19BrFN3O/c15-12-8-11(9-13(16)10-12)14(20)18-2-1-5-19-6-3-17-4-7-19/h8-10,17H,1-7H2,(H,18,20)
InChIKeyRZLBMQFFBMPTBA-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

5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 63870959
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390823
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide (CID 43443290) is 3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide is O=C(NCCCN1CCNCC1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is RZLBMQFFBMPTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O/c15-12-8-11(9-13(16)10-12)14(20)18-2-1-5-19-6-3-17-4-7-19/h8-10,17H,1-7H2,(H,18,20).
What are the key properties of 3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide?
3-bromo-5-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 3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 43443290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).