N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

C25H22F4N2O3 — CID 25163095

IUPACN-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H22F4N2O3/c1-2-31(15-23(32)30-21-9-5-4-8-20(21)25(27,28)29)24(33)19-7-3-6-10-22(19)34-16-17-11-13-18(26)14-12-17/h3-14H,2,15-16H2,1H3,(H,30,32)
InChIKeyPLNBFYVKBFXTJH-UHFFFAOYSA-N
MW474.45 g/mol
LogP5.52
Rot. Bonds8

About N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 25163095) has the molecular formula C25H22F4N2O3 and a molecular weight of 474.45 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID25163095
Molecular FormulaC25H22F4N2O3
Molecular Weight474.45 g/mol
Exact Mass474.16
IUPAC NameN-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H22F4N2O3/c1-2-31(15-23(32)30-21-9-5-4-8-20(21)25(27,28)29)24(33)19-7-3-6-10-22(19)34-16-17-11-13-18(26)14-12-17/h3-14H,2,15-16H2,1H3,(H,30,32)
InChIKeyPLNBFYVKBFXTJH-UHFFFAOYSA-N
XLogP5.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.45
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (CID 25163095) is N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is PLNBFYVKBFXTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2O3/c1-2-31(15-23(32)30-21-9-5-4-8-20(21)25(27,28)29)24(33)19-7-3-6-10-22(19)34-16-17-11-13-18(26)14-12-17/h3-14H,2,15-16H2,1H3,(H,30,32).
What are the key properties of N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 474.45 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)methoxy]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 25163095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).