5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide

C20H22ClN3O3 — CID 19288684

About 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide

5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 19288684) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide
• PubChem CID: 19288684
• Molecular Formula: C20H22ClN3O3
• Molecular Weight: 387.87 g/mol
• Exact Mass: 387.13
• IUPAC Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide
• SMILES: CCn1cc(CNC(=O)c2ccc(COc3ccc(Cl)cc3C)o2)c(C)n1
• InChI: InChI=1S/C20H22ClN3O3/c1-4-24-11-15(14(3)23-24)10-22-20(25)19-8-6-17(27-19)12-26-18-7-5-16(21)9-13(18)2/h5-9,11H,4,10,12H2,1-3H3,(H,22,25)
• InChIKey: CFWBJNZYWYCGIU-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.87
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide (CID 19288684) is 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide is CCn1cc(CNC(=O)c2ccc(COc3ccc(Cl)cc3C)o2)c(C)n1.

What is the InChIKey of 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide?

The InChIKey is CFWBJNZYWYCGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-4-24-11-15(14(3)23-24)10-22-20(25)19-8-6-17(27-19)12-26-18-7-5-16(21)9-13(18)2/h5-9,11H,4,10,12H2,1-3H3,(H,22,25).

What are the key properties of 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide?

5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19288684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).