5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide

C17H9F4NO2 — CID 17472963

IUPAC5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H9F4NO2/c18-10-4-2-1-3-9(10)13-7-8-14(24-13)17(23)22-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,22,23)
InChIKeyICMHTNZJTIYAGW-UHFFFAOYSA-N
MW335.26 g/mol
LogP4.76
Rot. Bonds3

About 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide

5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide (PubChem CID 17472963) has the molecular formula C17H9F4NO2 and a molecular weight of 335.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
PubChem CID17472963
Molecular FormulaC17H9F4NO2
Molecular Weight335.26 g/mol
Exact Mass335.06
IUPAC Name5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H9F4NO2/c18-10-4-2-1-3-9(10)13-7-8-14(24-13)17(23)22-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,22,23)
InChIKeyICMHTNZJTIYAGW-UHFFFAOYSA-N
XLogP4.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide (CID 17472963) is 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
The InChIKey is ICMHTNZJTIYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4NO2/c18-10-4-2-1-3-9(10)13-7-8-14(24-13)17(23)22-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,22,23).
What are the key properties of 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide has a molecular weight of 335.26 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17472963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).