(2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C26H19ClFNO3 — CID 6217191

About (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

(2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 6217191) has the molecular formula C26H19ClFNO3 and a molecular weight of 447.89 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 6217191
• Molecular Formula: C26H19ClFNO3
• Molecular Weight: 447.89 g/mol
• Exact Mass: 447.10
• IUPAC Name: (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: O=C(OCc1ccc(F)cc1Cl)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2
• InChI: InChI=1S/C26H19ClFNO3/c27-22-14-18(28)11-10-17(22)15-32-26(30)24-20-7-1-2-9-23(20)29-25-16(5-3-8-21(24)25)13-19-6-4-12-31-19/h1-2,4,6-7,9-14H,3,5,8,15H2/b16-13+
• InChIKey: ZJOIBOYJXMBYMX-DTQAZKPQSA-N
• XLogP: 6.85
• TPSA: 52.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.89
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (CID 6217191) is (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is O=C(OCc1ccc(F)cc1Cl)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2.

What is the InChIKey of (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The InChIKey is ZJOIBOYJXMBYMX-DTQAZKPQSA-N. The full InChI is InChI=1S/C26H19ClFNO3/c27-22-14-18(28)11-10-17(22)15-32-26(30)24-20-7-1-2-9-23(20)29-25-16(5-3-8-21(24)25)13-19-6-4-12-31-19/h1-2,4,6-7,9-14H,3,5,8,15H2/b16-13+.

What are the key properties of (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

(2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 447.89 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-4-fluorophenyl)methyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 6217191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).