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

C17H9ClF3NO2 — CID 43029737

IUPAC5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H9ClF3NO2/c18-10-3-1-9(2-4-10)13-7-8-14(24-13)17(23)22-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,22,23)
InChIKeyKJLGIUCVNKSVKS-UHFFFAOYSA-N
MW351.71 g/mol
LogP5.27
Rot. Bonds3

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

5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide (PubChem CID 43029737) has the molecular formula C17H9ClF3NO2 and a molecular weight of 351.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
PubChem CID43029737
Molecular FormulaC17H9ClF3NO2
Molecular Weight351.71 g/mol
Exact Mass351.03
IUPAC Name5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H9ClF3NO2/c18-10-3-1-9(2-4-10)13-7-8-14(24-13)17(23)22-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,22,23)
InChIKeyKJLGIUCVNKSVKS-UHFFFAOYSA-N
XLogP5.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.71
LogP ≤ 55.27
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-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide (CID 43029737) is 5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
The InChIKey is KJLGIUCVNKSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO2/c18-10-3-1-9(2-4-10)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-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide has a molecular weight of 351.71 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 43029737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).