N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide

C21H20F3N3O3 — CID 56558972

IUPACN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NCCCN1C(=O)CCC1=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)14-5-3-6-15(13-14)26-17-8-2-1-7-16(17)20(30)25-11-4-12-27-18(28)9-10-19(27)29/h1-3,5-8,13,26H,4,9-12H2,(H,25,30)
InChIKeyLSIABSXEWIHFPM-UHFFFAOYSA-N
MW419.40 g/mol
LogP3.72
Rot. Bonds7

About N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide

N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 56558972) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide
PubChem CID56558972
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NCCCN1C(=O)CCC1=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)14-5-3-6-15(13-14)26-17-8-2-1-7-16(17)20(30)25-11-4-12-27-18(28)9-10-19(27)29/h1-3,5-8,13,26H,4,9-12H2,(H,25,30)
InChIKeyLSIABSXEWIHFPM-UHFFFAOYSA-N
XLogP3.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]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

N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 112767635
N-(oxetan-3-ylmethyl)-2-[3-(trifluoromethyl)anilino]benzamide
CID 166247033
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 118723541
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648066
(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 16619639
N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 78843246
N-[3-[[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 68821045
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
benzyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-[[2-[3-(trifluoromethyl)anilino]benzoyl]amino]propylcarbamoyl]hexanoate
CID 67157393

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide (CID 56558972) is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide is O=C(NCCCN1C(=O)CCC1=O)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is LSIABSXEWIHFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)14-5-3-6-15(13-14)26-17-8-2-1-7-16(17)20(30)25-11-4-12-27-18(28)9-10-19(27)29/h1-3,5-8,13,26H,4,9-12H2,(H,25,30).
What are the key properties of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide?
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 419.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 56558972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).