2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide

C15H15F3N2O2 — CID 47076260

IUPAC2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c(C)o1
InChIInChI=1S/C15H15F3N2O2/c1-9-7-11(10(2)22-9)14(21)20-13-6-4-3-5-12(13)19-8-15(16,17)18/h3-7,19H,8H2,1-2H3,(H,20,21)
InChIKeyUUOICXHAZNZKCX-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.12
Rot. Bonds4

About 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide

2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide (PubChem CID 47076260) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide
PubChem CID47076260
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c(C)o1
InChIInChI=1S/C15H15F3N2O2/c1-9-7-11(10(2)22-9)14(21)20-13-6-4-3-5-12(13)19-8-15(16,17)18/h3-7,19H,8H2,1-2H3,(H,20,21)
InChIKeyUUOICXHAZNZKCX-UHFFFAOYSA-N
XLogP4.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide (CID 47076260) is 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide?
The InChIKey is UUOICXHAZNZKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-9-7-11(10(2)22-9)14(21)20-13-6-4-3-5-12(13)19-8-15(16,17)18/h3-7,19H,8H2,1-2H3,(H,20,21).
What are the key properties of 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide is sourced from PubChem (CID 47076260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).