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

C22H22FN3O — CID 126963303

IUPAC2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1F
InChIInChI=1S/C22H22FN3O/c23-18-10-4-1-7-15(18)22(27)25-14-13-24-21-16-8-2-5-11-19(16)26-20-12-6-3-9-17(20)21/h1-2,4-5,7-8,10-11H,3,6,9,12-14H2,(H,24,26)(H,25,27)
InChIKeyONDSJDJVBKWOLC-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.09
Rot. Bonds5

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

2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide (PubChem CID 126963303) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide
PubChem CID126963303
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1F
InChIInChI=1S/C22H22FN3O/c23-18-10-4-1-7-15(18)22(27)25-14-13-24-21-16-8-2-5-11-19(16)26-20-12-6-3-9-17(20)21/h1-2,4-5,7-8,10-11H,3,6,9,12-14H2,(H,24,26)(H,25,27)
InChIKeyONDSJDJVBKWOLC-UHFFFAOYSA-N
XLogP4.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.09
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-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide (CID 126963303) is 2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide is O=C(NCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide?
The InChIKey is ONDSJDJVBKWOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-18-10-4-1-7-15(18)22(27)25-14-13-24-21-16-8-2-5-11-19(16)26-20-12-6-3-9-17(20)21/h1-2,4-5,7-8,10-11H,3,6,9,12-14H2,(H,24,26)(H,25,27).
What are the key properties of 2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide?
2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide is sourced from PubChem (CID 126963303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).