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

C23H24FN3O — CID 126963304

IUPAC2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide
SMILESO=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1F
InChIInChI=1S/C23H24FN3O/c24-19-11-4-1-8-16(19)23(28)26-15-7-14-25-22-17-9-2-5-12-20(17)27-21-13-6-3-10-18(21)22/h1-2,4-5,8-9,11-12H,3,6-7,10,13-15H2,(H,25,27)(H,26,28)
InChIKeyYOMVZYGDRPPPGW-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.48
Rot. Bonds6

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

2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide (PubChem CID 126963304) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide
PubChem CID126963304
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide
SMILESO=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1F
InChIInChI=1S/C23H24FN3O/c24-19-11-4-1-8-16(19)23(28)26-15-7-14-25-22-17-9-2-5-12-20(17)27-21-13-6-3-10-18(21)22/h1-2,4-5,8-9,11-12H,3,6-7,10,13-15H2,(H,25,27)(H,26,28)
InChIKeyYOMVZYGDRPPPGW-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.48
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 2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide (CID 126963304) is 2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide is O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide?
The InChIKey is YOMVZYGDRPPPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-19-11-4-1-8-16(19)23(28)26-15-7-14-25-22-17-9-2-5-12-20(17)27-21-13-6-3-10-18(21)22/h1-2,4-5,8-9,11-12H,3,6-7,10,13-15H2,(H,25,27)(H,26,28).
What are the key properties of 2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide?
2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide has a molecular weight of 377.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide is sourced from PubChem (CID 126963304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).