(7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

C26H19ClFNO4 — CID 92669162

About (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

(7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 92669162) has the molecular formula C26H19ClFNO4 and a molecular weight of 463.89 g/mol. Its IUPAC name is (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

• Compound Name: (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
• PubChem CID: 92669162
• Molecular Formula: C26H19ClFNO4
• Molecular Weight: 463.89 g/mol
• Exact Mass: 463.10
• IUPAC Name: (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccccc2Cl)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(F)cc1)O3
• InChI: InChI=1S/C26H19ClFNO4/c1-14-22-20(32-24(14)25(31)29-18-6-4-3-5-17(18)27)11-12-21-23(22)19(30)13-26(2,33-21)15-7-9-16(28)10-8-15/h3-12H,13H2,1-2H3,(H,29,31)/t26-/m0/s1
• InChIKey: JPMPEUDNCXZELA-SANMLTNESA-N
• XLogP: 6.67
• TPSA: 68.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.89
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?

The IUPAC name of (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (CID 92669162) is (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.

What is the SMILES notation for (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?

The canonical SMILES for (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is Cc1c(C(=O)Nc2ccccc2Cl)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(F)cc1)O3.

What is the InChIKey of (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?

The InChIKey is JPMPEUDNCXZELA-SANMLTNESA-N. The full InChI is InChI=1S/C26H19ClFNO4/c1-14-22-20(32-24(14)25(31)29-18-6-4-3-5-17(18)27)11-12-21-23(22)19(30)13-26(2,33-21)15-7-9-16(28)10-8-15/h3-12H,13H2,1-2H3,(H,29,31)/t26-/m0/s1.

What are the key properties of (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?

(7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 463.89 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 92669162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).