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

C24H26FN3O — CID 126963305

IUPAC2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide
SMILESO=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1F
InChIInChI=1S/C24H26FN3O/c25-20-12-4-1-9-17(20)24(29)27-16-8-7-15-26-23-18-10-2-5-13-21(18)28-22-14-6-3-11-19(22)23/h1-2,4-5,9-10,12-13H,3,6-8,11,14-16H2,(H,26,28)(H,27,29)
InChIKeyGKFHMEQQMKLVMW-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.87
Rot. Bonds7

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

2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide (PubChem CID 126963305) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide
PubChem CID126963305
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide
SMILESO=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1F
InChIInChI=1S/C24H26FN3O/c25-20-12-4-1-9-17(20)24(29)27-16-8-7-15-26-23-18-10-2-5-13-21(18)28-22-14-6-3-11-19(22)23/h1-2,4-5,9-10,12-13H,3,6-8,11,14-16H2,(H,26,28)(H,27,29)
InChIKeyGKFHMEQQMKLVMW-UHFFFAOYSA-N
XLogP4.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.87
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-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide (CID 126963305) is 2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide is O=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide?
The InChIKey is GKFHMEQQMKLVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c25-20-12-4-1-9-17(20)24(29)27-16-8-7-15-26-23-18-10-2-5-13-21(18)28-22-14-6-3-11-19(22)23/h1-2,4-5,9-10,12-13H,3,6-8,11,14-16H2,(H,26,28)(H,27,29).
What are the key properties of 2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide?
2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide has a molecular weight of 391.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide is sourced from PubChem (CID 126963305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).