N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide

C22H15Cl3FN3O3 — CID 19396570

About N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide

N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19396570) has the molecular formula C22H15Cl3FN3O3 and a molecular weight of 494.74 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19396570
• Molecular Formula: C22H15Cl3FN3O3
• Molecular Weight: 494.74 g/mol
• Exact Mass: 493.02
• IUPAC Name: N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
• SMILES: O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Cl)c1ccc(COc2ccccc2Cl)o1
• InChI: InChI=1S/C22H15Cl3FN3O3/c23-15-5-3-6-18(26)14(15)10-29-11-17(25)21(28-29)27-22(30)20-9-8-13(32-20)12-31-19-7-2-1-4-16(19)24/h1-9,11H,10,12H2,(H,27,28,30)
• InChIKey: FUXYBKDFLKHPBT-UHFFFAOYSA-N
• XLogP: 6.45
• 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	494.74
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (CID 19396570) is N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Cl)c1ccc(COc2ccccc2Cl)o1.

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

The InChIKey is FUXYBKDFLKHPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3FN3O3/c23-15-5-3-6-18(26)14(15)10-29-11-17(25)21(28-29)27-22(30)20-9-8-13(32-20)12-31-19-7-2-1-4-16(19)24/h1-9,11H,10,12H2,(H,27,28,30).

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

N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 494.74 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19396570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).