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

C21H25ClFN3O2 — CID 119390823

IUPAC2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2.ClH/c22-17-8-6-16(7-9-17)20(26)18-4-1-2-5-19(18)21(27)24-10-3-13-25-14-11-23-12-15-25;/h1-2,4-9,23H,3,10-15H2,(H,24,27);1H
InChIKeyWEBZPRJKAQVMEH-UHFFFAOYSA-N
MW405.90 g/mol
LogP2.50
Rot. Bonds7

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

2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119390823) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119390823
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2.ClH/c22-17-8-6-16(7-9-17)20(26)18-4-1-2-5-19(18)21(27)24-10-3-13-25-14-11-23-12-15-25;/h1-2,4-9,23H,3,10-15H2,(H,24,27);1H
InChIKeyWEBZPRJKAQVMEH-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride 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

4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
1-(4-fluorophenyl)-2,5-dimethyl-N-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 119393216
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
N-(3-piperazin-1-ylpropyl)-2-propan-2-ylsulfanylbenzamide
CID 119393290
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
N-[2-[[2-(4-fluorobenzoyl)benzoyl]amino]ethyl]-1-methylpyrrole-2-carboxamide
CID 39976491
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119390823) is 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1ccccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is WEBZPRJKAQVMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2.ClH/c22-17-8-6-16(7-9-17)20(26)18-4-1-2-5-19(18)21(27)24-10-3-13-25-14-11-23-12-15-25;/h1-2,4-9,23H,3,10-15H2,(H,24,27);1H.
What are the key properties of 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 405.90 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119390823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).