5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

C22H15BrCl3N3O3 — CID 19399026

About 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19399026) has the molecular formula C22H15BrCl3N3O3 and a molecular weight of 555.64 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19399026
• Molecular Formula: C22H15BrCl3N3O3
• Molecular Weight: 555.64 g/mol
• Exact Mass: 552.94
• IUPAC Name: 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(COc2ccc(Br)cc2Cl)o1
• InChI: InChI=1S/C22H15BrCl3N3O3/c23-14-2-5-19(18(26)10-14)31-12-15-3-6-20(32-15)22(30)27-21-7-8-29(28-21)11-13-1-4-16(24)17(25)9-13/h1-10H,11-12H2,(H,27,28,30)
• InChIKey: GORDVFGAANYLDA-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.64
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19399026) is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(COc2ccc(Br)cc2Cl)o1.

What is the InChIKey of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?

The InChIKey is GORDVFGAANYLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrCl3N3O3/c23-14-2-5-19(18(26)10-14)31-12-15-3-6-20(32-15)22(30)27-21-7-8-29(28-21)11-13-1-4-16(24)17(25)9-13/h1-10H,11-12H2,(H,27,28,30).

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

5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 555.64 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19399026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).