2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C19H18F3NO3 — CID 27052429

IUPAC2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO3/c1-2-17(24)14-5-9-16(10-6-14)26-12-18(25)23-11-13-3-7-15(8-4-13)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,25)
InChIKeyGRZJTBXOCHVTCE-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.99
Rot. Bonds7

About 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 27052429) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID27052429
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO3/c1-2-17(24)14-5-9-16(10-6-14)26-12-18(25)23-11-13-3-7-15(8-4-13)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,25)
InChIKeyGRZJTBXOCHVTCE-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide 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-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 26447428
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2435086
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855139
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 54596690
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51117641
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 27052429) is 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CCC(=O)c1ccc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is GRZJTBXOCHVTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-2-17(24)14-5-9-16(10-6-14)26-12-18(25)23-11-13-3-7-15(8-4-13)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,25).
What are the key properties of 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 365.35 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 27052429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).