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

C24H21BrClN3O3 — CID 19463783

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

5-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide (PubChem CID 19463783) has the molecular formula C24H21BrClN3O3 and a molecular weight of 514.81 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide
• PubChem CID: 19463783
• Molecular Formula: C24H21BrClN3O3
• Molecular Weight: 514.81 g/mol
• Exact Mass: 513.05
• IUPAC Name: 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide
• SMILES: Cc1cc(C)n(Cc2cccc(NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)c2)n1
• InChI: InChI=1S/C24H21BrClN3O3/c1-15-10-16(2)29(28-15)13-17-4-3-5-19(11-17)27-24(30)23-9-7-20(32-23)14-31-22-8-6-18(25)12-21(22)26/h3-12H,13-14H2,1-2H3,(H,27,30)
• InChIKey: PFUMIPWJSVWMFH-UHFFFAOYSA-N
• XLogP: 6.39
• 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	514.81
LogP ≤ 5	6.39
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-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide?

The IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide (CID 19463783) is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)c2)n1.

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

The InChIKey is PFUMIPWJSVWMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClN3O3/c1-15-10-16(2)29(28-15)13-17-4-3-5-19(11-17)27-24(30)23-9-7-20(32-23)14-31-22-8-6-18(25)12-21(22)26/h3-12H,13-14H2,1-2H3,(H,27,30).

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

5-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide has a molecular weight of 514.81 g/mol, XLogP of 6.39, 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-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 19463783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).