3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide

C17H15F3N2O3 — CID 60530584

IUPAC3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-4-11(5-7-13)9-22-15(23)10-25-14-3-1-2-12(8-14)16(21)24/h1-8H,9-10H2,(H2,21,24)(H,22,23)
InChIKeyIZGKYIOYHXKCFH-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.50
Rot. Bonds6

About 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide

3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide (PubChem CID 60530584) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide.

Molecular Properties

Compound Name3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
PubChem CID60530584
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-4-11(5-7-13)9-22-15(23)10-25-14-3-1-2-12(8-14)16(21)24/h1-8H,9-10H2,(H2,21,24)(H,22,23)
InChIKeyIZGKYIOYHXKCFH-UHFFFAOYSA-N
XLogP2.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-oxo-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]ethoxy]benzamide
CID 55917606
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
CID 55947735
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853982
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 3,5-dimethoxybenzoate
CID 50929520
3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
CID 119042263
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide?
The IUPAC name of 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide (CID 60530584) is 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide.
What is the SMILES notation for 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide?
The canonical SMILES for 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide is NC(=O)c1cccc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide?
The InChIKey is IZGKYIOYHXKCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)13-6-4-11(5-7-13)9-22-15(23)10-25-14-3-1-2-12(8-14)16(21)24/h1-8H,9-10H2,(H2,21,24)(H,22,23).
What are the key properties of 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide?
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide has a molecular weight of 352.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide is sourced from PubChem (CID 60530584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).