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

C22H15Cl3FN3O3 — CID 19410358

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

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19410358) has the molecular formula C22H15Cl3FN3O3 and a molecular weight of 494.74 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19410358
• Molecular Formula: C22H15Cl3FN3O3
• Molecular Weight: 494.74 g/mol
• Exact Mass: 493.02
• IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
• SMILES: O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1
• InChI: InChI=1S/C22H15Cl3FN3O3/c23-13-4-6-20(18(25)8-13)31-12-15-5-7-21(32-15)22(30)28-14-9-27-29(10-14)11-16-17(24)2-1-3-19(16)26/h1-10H,11-12H2,(H,28,30)
• InChIKey: HJTIICKFQPYKHC-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-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (CID 19410358) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1.

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

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

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

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)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-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19410358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).