4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C17H15F3N2O3 — CID 17452852

IUPAC4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)COc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-5-1-11(2-6-13)9-22-16(24)12-3-7-14(8-4-12)25-10-15(21)23/h1-8H,9-10H2,(H2,21,23)(H,22,24)
InChIKeyBIJACGFRIZPLMV-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.50
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 17452852) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID17452852
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)COc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-5-1-11(2-6-13)9-22-16(24)12-3-7-14(8-4-12)25-10-15(21)23/h1-8H,9-10H2,(H2,21,23)(H,22,24)
InChIKeyBIJACGFRIZPLMV-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

Analyze 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 78876425
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510054
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678473
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 17452852) is 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is NC(=O)COc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is BIJACGFRIZPLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)13-5-1-11(2-6-13)9-22-16(24)12-3-7-14(8-4-12)25-10-15(21)23/h1-8H,9-10H2,(H2,21,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]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 4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17452852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).