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

C22H15ClF3N3O3 — CID 19453250

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

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19453250) has the molecular formula C22H15ClF3N3O3 and a molecular weight of 461.83 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19453250
• Molecular Formula: C22H15ClF3N3O3
• Molecular Weight: 461.83 g/mol
• Exact Mass: 461.08
• IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
• SMILES: O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(COc2ccc(F)cc2F)o1
• InChI: InChI=1S/C22H15ClF3N3O3/c23-18-7-14(24)2-1-13(18)10-29-11-16(9-27-29)28-22(30)21-6-4-17(32-21)12-31-20-5-3-15(25)8-19(20)26/h1-9,11H,10,12H2,(H,28,30)
• InChIKey: DVLGMDSJUJYNJC-UHFFFAOYSA-N
• XLogP: 5.43
• 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	461.83
LogP ≤ 5	5.43
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-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide (CID 19453250) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(COc2ccc(F)cc2F)o1.

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

The InChIKey is DVLGMDSJUJYNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3/c23-18-7-14(24)2-1-13(18)10-29-11-16(9-27-29)28-22(30)21-6-4-17(32-21)12-31-20-5-3-15(25)8-19(20)26/h1-9,11H,10,12H2,(H,28,30).

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

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 461.83 g/mol, XLogP of 5.43, 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-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19453250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).