4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride

C23H25ClFN3O — CID 53361168

IUPAC4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
SMILESCl.O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O.ClH/c24-17-12-10-16(11-13-17)23(28)26-15-5-14-25-22-18-6-1-3-8-20(18)27-21-9-4-2-7-19(21)22;/h1,3,6,8,10-13H,2,4-5,7,9,14-15H2,(H,25,27)(H,26,28);1H
InChIKeyPAINQULSLLEVJB-UHFFFAOYSA-N
MW413.92 g/mol
LogP4.91
Rot. Bonds6

About 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride

4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride (PubChem CID 53361168) has the molecular formula C23H25ClFN3O and a molecular weight of 413.92 g/mol. Its IUPAC name is 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
PubChem CID53361168
Molecular FormulaC23H25ClFN3O
Molecular Weight413.92 g/mol
Exact Mass413.17
IUPAC Name4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
SMILESCl.O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O.ClH/c24-17-12-10-16(11-13-17)23(28)26-15-5-14-25-22-18-6-1-3-8-20(18)27-21-9-4-2-7-19(21)22;/h1,3,6,8,10-13H,2,4-5,7,9,14-15H2,(H,25,27)(H,26,28);1H
InChIKeyPAINQULSLLEVJB-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.92
LogP ≤ 54.91
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride (CID 53361168) is 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride is Cl.O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride?
The InChIKey is PAINQULSLLEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O.ClH/c24-17-12-10-16(11-13-17)23(28)26-15-5-14-25-22-18-6-1-3-8-20(18)27-21-9-4-2-7-19(21)22;/h1,3,6,8,10-13H,2,4-5,7,9,14-15H2,(H,25,27)(H,26,28);1H.
What are the key properties of 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride?
4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride has a molecular weight of 413.92 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 53361168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).