N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

C21H21F3N2O4 — CID 24980265

IUPACN-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)NCC2CCCO2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H21F3N2O4/c22-21(23,24)15-3-1-4-16(11-15)26-19(27)13-30-17-8-6-14(7-9-17)20(28)25-12-18-5-2-10-29-18/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,25,28)(H,26,27)
InChIKeyQLOSBPXYRWGABK-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.63
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 24980265) has the molecular formula C21H21F3N2O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID24980265
Molecular FormulaC21H21F3N2O4
Molecular Weight422.40 g/mol
Exact Mass422.15
IUPAC NameN-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)NCC2CCCO2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H21F3N2O4/c22-21(23,24)15-3-1-4-16(11-15)26-19(27)13-30-17-8-6-14(7-9-17)20(28)25-12-18-5-2-10-29-18/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,25,28)(H,26,27)
InChIKeyQLOSBPXYRWGABK-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (CID 24980265) is N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is O=C(COc1ccc(C(=O)NCC2CCCO2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is QLOSBPXYRWGABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4/c22-21(23,24)15-3-1-4-16(11-15)26-19(27)13-30-17-8-6-14(7-9-17)20(28)25-12-18-5-2-10-29-18/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,25,28)(H,26,27).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 422.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 24980265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).