(2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C26H19ClFNO3 — CID 3373287

About (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

(2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 3373287) has the molecular formula C26H19ClFNO3 and a molecular weight of 447.89 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 3373287
• Molecular Formula: C26H19ClFNO3
• Molecular Weight: 447.89 g/mol
• Exact Mass: 447.10
• IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: O=C(OCc1c(F)cccc1Cl)c1c2c(nc3ccccc13)C(=Cc1ccco1)CCC2
• InChI: InChI=1S/C26H19ClFNO3/c27-21-10-4-11-22(28)20(21)15-32-26(30)24-18-8-1-2-12-23(18)29-25-16(6-3-9-19(24)25)14-17-7-5-13-31-17/h1-2,4-5,7-8,10-14H,3,6,9,15H2
• InChIKey: CVFMDHPQJOWIBA-UHFFFAOYSA-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-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (CID 3373287) is (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is O=C(OCc1c(F)cccc1Cl)c1c2c(nc3ccccc13)C(=Cc1ccco1)CCC2.

What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

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

What are the key properties of (2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

(2-chloro-6-fluorophenyl)methyl 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-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 3373287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).