2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide

C21H23F3N2O3 — CID 108541583

IUPAC2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C21H23F3N2O3/c1-12(2)14-4-6-15(7-5-14)29-13(3)20(27)25-10-11-26-21(28)16-8-9-17(22)19(24)18(16)23/h4-9,12-13H,10-11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyNNUKEBGHWYOYMF-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.54
Rot. Bonds8

About 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide

2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide (PubChem CID 108541583) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
PubChem CID108541583
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C21H23F3N2O3/c1-12(2)14-4-6-15(7-5-14)29-13(3)20(27)25-10-11-26-21(28)16-8-9-17(22)19(24)18(16)23/h4-9,12-13H,10-11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyNNUKEBGHWYOYMF-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]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-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide
CID 108572727
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108538670
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108556788
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide
CID 108541568
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
2-chloroethyl N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]carbamate
CID 108572823
N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide
CID 108926615

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide (CID 108541583) is 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NCCNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide?
The InChIKey is NNUKEBGHWYOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c1-12(2)14-4-6-15(7-5-14)29-13(3)20(27)25-10-11-26-21(28)16-8-9-17(22)19(24)18(16)23/h4-9,12-13H,10-11H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide?
2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide has a molecular weight of 408.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 108541583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).