5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

C23H23ClFNO4 — CID 110279886

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 110279886) has the molecular formula C23H23ClFNO4 and a molecular weight of 431.89 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
• PubChem CID: 110279886
• Molecular Formula: C23H23ClFNO4
• Molecular Weight: 431.89 g/mol
• Exact Mass: 431.13
• IUPAC Name: 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
• SMILES: CC(C)c1ccc(C(O)CNC(=O)c2ccc(COc3ccc(F)cc3Cl)o2)cc1
• InChI: InChI=1S/C23H23ClFNO4/c1-14(2)15-3-5-16(6-4-15)20(27)12-26-23(28)22-10-8-18(30-22)13-29-21-9-7-17(25)11-19(21)24/h3-11,14,20,27H,12-13H2,1-2H3,(H,26,28)
• InChIKey: XGUYYYZPOZWMLJ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 71.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.89
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (CID 110279886) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is CC(C)c1ccc(C(O)CNC(=O)c2ccc(COc3ccc(F)cc3Cl)o2)cc1.

What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The InChIKey is XGUYYYZPOZWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO4/c1-14(2)15-3-5-16(6-4-15)20(27)12-26-23(28)22-10-8-18(30-22)13-29-21-9-7-17(25)11-19(21)24/h3-11,14,20,27H,12-13H2,1-2H3,(H,26,28).

What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 431.89 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110279886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).