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

C23H18Cl3N3O3 — CID 19459413

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

5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19459413) has the molecular formula C23H18Cl3N3O3 and a molecular weight of 490.77 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19459413
• Molecular Formula: C23H18Cl3N3O3
• Molecular Weight: 490.77 g/mol
• Exact Mass: 489.04
• IUPAC Name: 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: Cc1cccc(Cl)c1OCc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)o1
• InChI: InChI=1S/C23H18Cl3N3O3/c1-14-3-2-4-19(25)22(14)31-13-17-6-8-21(32-17)23(30)28-16-10-27-29(12-16)11-15-5-7-18(24)20(26)9-15/h2-10,12H,11,13H2,1H3,(H,28,30)
• InChIKey: RHXXUQCEECBRQV-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.77
LogP ≤ 5	6.62
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-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19459413) is 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is Cc1cccc(Cl)c1OCc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)o1.

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

The InChIKey is RHXXUQCEECBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O3/c1-14-3-2-4-19(25)22(14)31-13-17-6-8-21(32-17)23(30)28-16-10-27-29(12-16)11-15-5-7-18(24)20(26)9-15/h2-10,12H,11,13H2,1H3,(H,28,30).

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

5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 490.77 g/mol, XLogP of 6.62, 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-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19459413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).