[2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

C29H22F2N2O3 — CID 71953573

About [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

[2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 71953573) has the molecular formula C29H22F2N2O3 and a molecular weight of 484.50 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 71953573
• Molecular Formula: C29H22F2N2O3
• Molecular Weight: 484.50 g/mol
• Exact Mass: 484.16
• IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(F)cc1)CCC2)Nc1cccc(F)c1
• InChI: InChI=1S/C29H22F2N2O3/c30-20-13-11-18(12-14-20)15-19-5-3-9-24-27(23-8-1-2-10-25(23)33-28(19)24)29(35)36-17-26(34)32-22-7-4-6-21(31)16-22/h1-2,4,6-8,10-16H,3,5,9,17H2,(H,32,34)
• InChIKey: AZNORAFQKWUWLT-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.50
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (CID 71953573) is [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(F)cc1)CCC2)Nc1cccc(F)c1.

What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

The InChIKey is AZNORAFQKWUWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2N2O3/c30-20-13-11-18(12-14-20)15-19-5-3-9-24-27(23-8-1-2-10-25(23)33-28(19)24)29(35)36-17-26(34)32-22-7-4-6-21(31)16-22/h1-2,4,6-8,10-16H,3,5,9,17H2,(H,32,34).

What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

[2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 484.50 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-fluoroanilino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 71953573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).