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

C22H14Cl5N3O3 — CID 19396828

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

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19396828) has the molecular formula C22H14Cl5N3O3 and a molecular weight of 545.64 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19396828
• Molecular Formula: C22H14Cl5N3O3
• Molecular Weight: 545.64 g/mol
• Exact Mass: 542.95
• IUPAC Name: N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
• SMILES: O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccc(COc2cccc(Cl)c2Cl)o1
• InChI: InChI=1S/C22H14Cl5N3O3/c23-13-5-4-12(16(25)8-13)9-30-10-17(26)21(29-30)28-22(31)19-7-6-14(33-19)11-32-18-3-1-2-15(24)20(18)27/h1-8,10H,9,11H2,(H,28,29,31)
• InChIKey: DZTXVJMTBVNNFJ-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.64
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide (CID 19396828) is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccc(COc2cccc(Cl)c2Cl)o1.

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

The InChIKey is DZTXVJMTBVNNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl5N3O3/c23-13-5-4-12(16(25)8-13)9-30-10-17(26)21(29-30)28-22(31)19-7-6-14(33-19)11-32-18-3-1-2-15(24)20(18)27/h1-8,10H,9,11H2,(H,28,29,31).

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

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 545.64 g/mol, XLogP of 7.62, 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-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19396828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).