2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C21H18F3N3O4 — CID 25163620

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H18F3N3O4/c1-12(27-19(30)13-7-3-4-8-14(13)20(27)31)18(29)26(2)11-17(28)25-16-10-6-5-9-15(16)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,28)
InChIKeyIKTLKXFECZXJOP-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.79
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 25163620) has the molecular formula C21H18F3N3O4 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID25163620
Molecular FormulaC21H18F3N3O4
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H18F3N3O4/c1-12(27-19(30)13-7-3-4-8-14(13)20(27)31)18(29)26(2)11-17(28)25-16-10-6-5-9-15(16)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,28)
InChIKeyIKTLKXFECZXJOP-UHFFFAOYSA-N
XLogP2.79
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 25163620) is 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is CC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is IKTLKXFECZXJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4/c1-12(27-19(30)13-7-3-4-8-14(13)20(27)31)18(29)26(2)11-17(28)25-16-10-6-5-9-15(16)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,25,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 433.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 25163620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).