4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C24H21F3N2O3 — CID 28639153

IUPAC4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C)c1
InChIInChI=1S/C24H21F3N2O3/c1-15-6-11-21(16(2)12-15)32-14-22(30)28-19-9-7-17(8-10-19)23(31)29-20-5-3-4-18(13-20)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyCKYTVWCEAXOKKX-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.59
Rot. Bonds6

About 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 28639153) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID28639153
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C)c1
InChIInChI=1S/C24H21F3N2O3/c1-15-6-11-21(16(2)12-15)32-14-22(30)28-19-9-7-17(8-10-19)23(31)29-20-5-3-4-18(13-20)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyCKYTVWCEAXOKKX-UHFFFAOYSA-N
XLogP5.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167723
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
4-tert-butyl-N-[3-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 46763392
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55532368
4-[(2,4-dimethylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19483492
N-(2-ethyl-6-methylphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 112762733

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 28639153) is 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C)c1.
What is the InChIKey of 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CKYTVWCEAXOKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c1-15-6-11-21(16(2)12-15)32-14-22(30)28-19-9-7-17(8-10-19)23(31)29-20-5-3-4-18(13-20)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 442.44 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 28639153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).