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

C13H9F3N2O3 — CID 110700005

IUPAC5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2F)o1
InChIInChI=1S/C13H9F3N2O3/c1-6(19)17-10-5-4-9(21-10)13(20)18-8-3-2-7(14)11(15)12(8)16/h2-5H,1H3,(H,17,19)(H,18,20)
InChIKeySRAFGAFHWOQOAC-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.91
Rot. Bonds3

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

5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide (PubChem CID 110700005) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
PubChem CID110700005
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2F)o1
InChIInChI=1S/C13H9F3N2O3/c1-6(19)17-10-5-4-9(21-10)13(20)18-8-3-2-7(14)11(15)12(8)16/h2-5H,1H3,(H,17,19)(H,18,20)
InChIKeySRAFGAFHWOQOAC-UHFFFAOYSA-N
XLogP2.91
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide (CID 110700005) is 5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2F)o1.
What is the InChIKey of 5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
The InChIKey is SRAFGAFHWOQOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c1-6(19)17-10-5-4-9(21-10)13(20)18-8-3-2-7(14)11(15)12(8)16/h2-5H,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide?
5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide has a molecular weight of 298.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 110700005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).