N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide

C18H9ClF5NO4 — CID 19459751

About N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide

N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19459751) has the molecular formula C18H9ClF5NO4 and a molecular weight of 433.72 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19459751
• Molecular Formula: C18H9ClF5NO4
• Molecular Weight: 433.72 g/mol
• Exact Mass: 433.01
• IUPAC Name: N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
• SMILES: O=C(Nc1cc(Cl)ccc1O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
• InChI: InChI=1S/C18H9ClF5NO4/c19-7-1-3-10(26)9(5-7)25-18(27)11-4-2-8(29-11)6-28-17-15(23)13(21)12(20)14(22)16(17)24/h1-5,26H,6H2,(H,25,27)
• InChIKey: YDPMSIZDKGIKEP-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 71.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.72
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide (CID 19459751) is N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1.

What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?

The InChIKey is YDPMSIZDKGIKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF5NO4/c19-7-1-3-10(26)9(5-7)25-18(27)11-4-2-8(29-11)6-28-17-15(23)13(21)12(20)14(22)16(17)24/h1-5,26H,6H2,(H,25,27).

What are the key properties of N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide?

N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 433.72 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19459751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).