2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C25H24F3N3O3 — CID 56593300

IUPAC2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3N3O3/c1-31(2)14-15-34-22-13-6-4-11-20(22)24(33)30-21-12-5-3-10-19(21)23(32)29-18-9-7-8-17(16-18)25(26,27)28/h3-13,16H,14-15H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyURLHCOVSCABDQW-UHFFFAOYSA-N
MW471.48 g/mol
LogP5.15
Rot. Bonds8

About 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 56593300) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID56593300
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC Name2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3N3O3/c1-31(2)14-15-34-22-13-6-4-11-20(22)24(33)30-21-12-5-3-10-19(21)23(32)29-18-9-7-8-17(16-18)25(26,27)28/h3-13,16H,14-15H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyURLHCOVSCABDQW-UHFFFAOYSA-N
XLogP5.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 56593300) is 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CN(C)CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is URLHCOVSCABDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c1-31(2)14-15-34-22-13-6-4-11-20(22)24(33)30-21-12-5-3-10-19(21)23(32)29-18-9-7-8-17(16-18)25(26,27)28/h3-13,16H,14-15H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 471.48 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 56593300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).