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

C24H20Cl2FN3O3 — CID 19339238

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

N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19339238) has the molecular formula C24H20Cl2FN3O3 and a molecular weight of 488.35 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19339238
• Molecular Formula: C24H20Cl2FN3O3
• Molecular Weight: 488.35 g/mol
• Exact Mass: 487.09
• IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cccc(Cl)c1OCc1ccc(C(=O)Nc2cc(C)n(Cc3c(F)cccc3Cl)n2)o1
• InChI: InChI=1S/C24H20Cl2FN3O3/c1-14-5-3-7-19(26)23(14)32-13-16-9-10-21(33-16)24(31)28-22-11-15(2)30(29-22)12-17-18(25)6-4-8-20(17)27/h3-11H,12-13H2,1-2H3,(H,28,29,31)
• InChIKey: MCRVRWXLGROKRZ-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.35
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide (CID 19339238) is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide is Cc1cccc(Cl)c1OCc1ccc(C(=O)Nc2cc(C)n(Cc3c(F)cccc3Cl)n2)o1.

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

The InChIKey is MCRVRWXLGROKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN3O3/c1-14-5-3-7-19(26)23(14)32-13-16-9-10-21(33-16)24(31)28-22-11-15(2)30(29-22)12-17-18(25)6-4-8-20(17)27/h3-11H,12-13H2,1-2H3,(H,28,29,31).

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

N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 488.35 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19339238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).