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

C23H18Cl2FN3O3 — CID 19402969

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

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19402969) has the molecular formula C23H18Cl2FN3O3 and a molecular weight of 474.32 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19402969
• Molecular Formula: C23H18Cl2FN3O3
• Molecular Weight: 474.32 g/mol
• Exact Mass: 473.07
• IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cc(Cl)ccc1OCc1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3Cl)n2)o1
• InChI: InChI=1S/C23H18Cl2FN3O3/c1-14-10-16(24)3-6-20(14)31-13-18-5-7-21(32-18)23(30)27-22-8-9-29(28-22)12-15-2-4-17(26)11-19(15)25/h2-11H,12-13H2,1H3,(H,27,28,30)
• InChIKey: BLIQFYXGCWOYKD-UHFFFAOYSA-N
• XLogP: 6.11
• 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	474.32
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide (CID 19402969) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide is Cc1cc(Cl)ccc1OCc1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3Cl)n2)o1.

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

The InChIKey is BLIQFYXGCWOYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O3/c1-14-10-16(24)3-6-20(14)31-13-18-5-7-21(32-18)23(30)27-22-8-9-29(28-22)12-15-2-4-17(26)11-19(15)25/h2-11H,12-13H2,1H3,(H,27,28,30).

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

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 474.32 g/mol, XLogP of 6.11, 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-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19402969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).