N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide

C20H15F4NO3 — CID 19457189

About N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide

N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19457189) has the molecular formula C20H15F4NO3 and a molecular weight of 393.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19457189
• Molecular Formula: C20H15F4NO3
• Molecular Weight: 393.34 g/mol
• Exact Mass: 393.10
• IUPAC Name: N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cccc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)c1C
• InChI: InChI=1S/C20H15F4NO3/c1-10-4-3-5-15(11(10)2)25-20(26)16-7-6-12(28-16)9-27-19-17(23)13(21)8-14(22)18(19)24/h3-8H,9H2,1-2H3,(H,25,26)
• InChIKey: XEPSWSHRGHXWGU-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 51.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.34
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide (CID 19457189) is N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)c1C.

What is the InChIKey of N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?

The InChIKey is XEPSWSHRGHXWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO3/c1-10-4-3-5-15(11(10)2)25-20(26)16-7-6-12(28-16)9-27-19-17(23)13(21)8-14(22)18(19)24/h3-8H,9H2,1-2H3,(H,25,26).

What are the key properties of N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide?

N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19457189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).