5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide

C24H20Cl3N3O3 — CID 19337274

About 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide

5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 19337274) has the molecular formula C24H20Cl3N3O3 and a molecular weight of 504.80 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19337274
• Molecular Formula: C24H20Cl3N3O3
• Molecular Weight: 504.80 g/mol
• Exact Mass: 503.06
• IUPAC Name: 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
• SMILES: Cc1cccc(Cl)c1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)o1
• InChI: InChI=1S/C24H20Cl3N3O3/c1-14-4-3-5-19(26)23(14)32-13-18-8-9-21(33-18)24(31)28-22-10-15(2)30(29-22)12-16-6-7-17(25)11-20(16)27/h3-11H,12-13H2,1-2H3,(H,28,29,31)
• InChIKey: CKSHWVCVAPQAGC-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.80
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide?

The IUPAC name of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide (CID 19337274) is 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide is Cc1cccc(Cl)c1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)o1.

What is the InChIKey of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide?

The InChIKey is CKSHWVCVAPQAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O3/c1-14-4-3-5-19(26)23(14)32-13-18-8-9-21(33-18)24(31)28-22-10-15(2)30(29-22)12-16-6-7-17(25)11-20(16)27/h3-11H,12-13H2,1-2H3,(H,28,29,31).

What are the key properties of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide?

5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 504.80 g/mol, XLogP of 6.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19337274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).