N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide

C15H13F3N2O3 — CID 2462607

IUPACN,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)o1
InChIInChI=1S/C15H13F3N2O3/c1-8-3-6-11(23-8)15(22)20(2)7-12(21)19-10-5-4-9(16)13(17)14(10)18/h3-6H,7H2,1-2H3,(H,19,21)
InChIKeyRSUVRAHTNCUYOF-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.72
Rot. Bonds4

About N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide

N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide (PubChem CID 2462607) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
PubChem CID2462607
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC NameN,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)o1
InChIInChI=1S/C15H13F3N2O3/c1-8-3-6-11(23-8)15(22)20(2)7-12(21)19-10-5-4-9(16)13(17)14(10)18/h3-6H,7H2,1-2H3,(H,19,21)
InChIKeyRSUVRAHTNCUYOF-UHFFFAOYSA-N
XLogP2.72
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide (CID 2462607) is N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide is Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)o1.
What is the InChIKey of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
The InChIKey is RSUVRAHTNCUYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-8-3-6-11(23-8)15(22)20(2)7-12(21)19-10-5-4-9(16)13(17)14(10)18/h3-6H,7H2,1-2H3,(H,19,21).
What are the key properties of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide?
N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2462607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).