N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C24H23F3N2O4 — CID 24979280

IUPACN-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCc1ccc(OCCC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)cc1
InChIInChI=1S/C24H23F3N2O4/c1-17-8-10-18(11-9-17)33-14-12-23(31)29(15-19-5-4-13-32-19)16-22(30)28-21-7-3-2-6-20(21)24(25,26)27/h2-11,13H,12,14-16H2,1H3,(H,28,30)
InChIKeyUXIKRJUMIOTKSL-UHFFFAOYSA-N
MW460.45 g/mol
LogP5.04
Rot. Bonds9

About N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 24979280) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID24979280
Molecular FormulaC24H23F3N2O4
Molecular Weight460.45 g/mol
Exact Mass460.16
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCc1ccc(OCCC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)cc1
InChIInChI=1S/C24H23F3N2O4/c1-17-8-10-18(11-9-17)33-14-12-23(31)29(15-19-5-4-13-32-19)16-22(30)28-21-7-3-2-6-20(21)24(25,26)27/h2-11,13H,12,14-16H2,1H3,(H,28,30)
InChIKeyUXIKRJUMIOTKSL-UHFFFAOYSA-N
XLogP5.04
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 24979280) is N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is Cc1ccc(OCCC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is UXIKRJUMIOTKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c1-17-8-10-18(11-9-17)33-14-12-23(31)29(15-19-5-4-13-32-19)16-22(30)28-21-7-3-2-6-20(21)24(25,26)27/h2-11,13H,12,14-16H2,1H3,(H,28,30).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 460.45 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methylphenoxy)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 24979280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).