5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

C24H26ClNO4 — CID 110279750

About 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 110279750) has the molecular formula C24H26ClNO4 and a molecular weight of 427.93 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
• PubChem CID: 110279750
• Molecular Formula: C24H26ClNO4
• Molecular Weight: 427.93 g/mol
• Exact Mass: 427.16
• IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
• SMILES: Cc1cc(OCc2ccc(C(=O)NCC(O)c3ccc(C(C)C)cc3)o2)ccc1Cl
• InChI: InChI=1S/C24H26ClNO4/c1-15(2)17-4-6-18(7-5-17)22(27)13-26-24(28)23-11-9-20(30-23)14-29-19-8-10-21(25)16(3)12-19/h4-12,15,22,27H,13-14H2,1-3H3,(H,26,28)
• InChIKey: APTHLEYCVJYXOB-UHFFFAOYSA-N
• XLogP: 5.41
• 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	427.93
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (CID 110279750) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)NCC(O)c3ccc(C(C)C)cc3)o2)ccc1Cl.

What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The InChIKey is APTHLEYCVJYXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO4/c1-15(2)17-4-6-18(7-5-17)22(27)13-26-24(28)23-11-9-20(30-23)14-29-19-8-10-21(25)16(3)12-19/h4-12,15,22,27H,13-14H2,1-3H3,(H,26,28).

What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110279750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).