3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

C13H15F3N2O3 — CID 9451822

IUPAC3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(=O)NCCC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-9(19)17-7-6-12(20)18-8-10-4-2-3-5-11(10)21-13(14,15)16/h2-5H,6-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyCFOQQANPGDIKOU-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.73
Rot. Bonds6

About 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 9451822) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID9451822
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(=O)NCCC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-9(19)17-7-6-12(20)18-8-10-4-2-3-5-11(10)21-13(14,15)16/h2-5H,6-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyCFOQQANPGDIKOU-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide 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

tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide
CID 17464973
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 41188300
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide
CID 24566510
3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34322367
methyl 3-[[N'-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111847884
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24565559
3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34554888

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (CID 9451822) is 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is CC(=O)NCCC(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is CFOQQANPGDIKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-9(19)17-7-6-12(20)18-8-10-4-2-3-5-11(10)21-13(14,15)16/h2-5H,6-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 304.27 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 9451822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).