2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C19H18F3NO3 — CID 112791758

IUPAC2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3NO3/c1-13(24)15-4-3-5-17(10-15)26-12-18(25)23(2)11-14-6-8-16(9-7-14)19(20,21)22/h3-10H,11-12H2,1-2H3
InChIKeyFRQJPBKIENXJBL-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.95
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 112791758) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID112791758
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3NO3/c1-13(24)15-4-3-5-17(10-15)26-12-18(25)23(2)11-14-6-8-16(9-7-14)19(20,21)22/h3-10H,11-12H2,1-2H3
InChIKeyFRQJPBKIENXJBL-UHFFFAOYSA-N
XLogP3.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-acetylphenoxy)-N-methyl-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-(3-acetylphenoxy)-N-(1,3-benzodioxol-5-ylmethyl)-N-methylacetamide
CID 32544144
4-(3-fluorophenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55929431
2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 55328875
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 103601917
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 9437481
N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46481265
2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 2545792
2-(3-acetylphenoxy)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylacetamide
CID 86912235

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 112791758) is 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)c1cccc(OCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is FRQJPBKIENXJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-13(24)15-4-3-5-17(10-15)26-12-18(25)23(2)11-14-6-8-16(9-7-14)19(20,21)22/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 365.35 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 112791758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).