4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C15H12F3N5O3 — CID 36579992

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C15H12F3N5O3/c16-15(17,18)13-20-14(22-21-13)19-12(26)9-3-1-8(2-4-9)7-23-10(24)5-6-11(23)25/h1-4H,5-7H2,(H2,19,20,21,22,26)
InChIKeySFBZKFSALHAKSS-UHFFFAOYSA-N
MW367.29 g/mol
LogP1.72
Rot. Bonds4

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 36579992) has the molecular formula C15H12F3N5O3 and a molecular weight of 367.29 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID36579992
Molecular FormulaC15H12F3N5O3
Molecular Weight367.29 g/mol
Exact Mass367.09
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C15H12F3N5O3/c16-15(17,18)13-20-14(22-21-13)19-12(26)9-3-1-8(2-4-9)7-23-10(24)5-6-11(23)25/h1-4H,5-7H2,(H2,19,20,21,22,26)
InChIKeySFBZKFSALHAKSS-UHFFFAOYSA-N
XLogP1.72
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]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

6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 134023049
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
1-methylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 36580021
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36861383
4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 47995157
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2445635
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33040140
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 36580295
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 47047630
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55787869
2,5-dichloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
CID 36579905

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 36579992) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is SFBZKFSALHAKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O3/c16-15(17,18)13-20-14(22-21-13)19-12(26)9-3-1-8(2-4-9)7-23-10(24)5-6-11(23)25/h1-4H,5-7H2,(H2,19,20,21,22,26).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 367.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 36579992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).