2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide

C20H17FN2O — CID 4187107

IUPAC2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide
SMILESO=C(Nc1c2c(nc3ccccc13)CCCC2)c1ccccc1F
InChIInChI=1S/C20H17FN2O/c21-16-10-4-1-7-13(16)20(24)23-19-14-8-2-5-11-17(14)22-18-12-6-3-9-15(18)19/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,22,23,24)
InChIKeyXKOKGXPVEQGWLS-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.51
Rot. Bonds2

About 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide

2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide (PubChem CID 4187107) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide
PubChem CID4187107
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide
SMILESO=C(Nc1c2c(nc3ccccc13)CCCC2)c1ccccc1F
InChIInChI=1S/C20H17FN2O/c21-16-10-4-1-7-13(16)20(24)23-19-14-8-2-5-11-17(14)22-18-12-6-3-9-15(18)19/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,22,23,24)
InChIKeyXKOKGXPVEQGWLS-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide?
The IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide (CID 4187107) is 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide is O=C(Nc1c2c(nc3ccccc13)CCCC2)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide?
The InChIKey is XKOKGXPVEQGWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c21-16-10-4-1-7-13(16)20(24)23-19-14-8-2-5-11-17(14)22-18-12-6-3-9-15(18)19/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,22,23,24).
What are the key properties of 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide?
2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide has a molecular weight of 320.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide is sourced from PubChem (CID 4187107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).