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

C14H19ClF3N3O — CID 119392644

IUPAC2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H18F3N3O.ClH/c15-11-3-2-10(12(16)13(11)17)14(21)19-4-1-7-20-8-5-18-6-9-20;/h2-3,18H,1,4-9H2,(H,19,21);1H
InChIKeyNHDALBYZLJICNI-UHFFFAOYSA-N
MW337.77 g/mol
LogP1.55
Rot. Bonds5

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

2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119392644) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119392644
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC Name2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H18F3N3O.ClH/c15-11-3-2-10(12(16)13(11)17)14(21)19-4-1-7-20-8-5-18-6-9-20;/h2-3,18H,1,4-9H2,(H,19,21);1H
InChIKeyNHDALBYZLJICNI-UHFFFAOYSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
5-acetamido-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391077
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
2-(4-fluorobenzoyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390823
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 110397603
7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride
CID 119392326
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
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

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119392644) is 2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is NHDALBYZLJICNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O.ClH/c15-11-3-2-10(12(16)13(11)17)14(21)19-4-1-7-20-8-5-18-6-9-20;/h2-3,18H,1,4-9H2,(H,19,21);1H.
What are the key properties of 2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 337.77 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119392644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).