N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide

C13H13F3N2O — CID 134863137

IUPACN-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide
SMILESCC(C)(C)N=C=NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O/c1-12(2,3)18-8-17-11(19)9-4-6-10(7-5-9)13(14,15)16/h4-7H,1-3H3
InChIKeyMZBAMXHBUAJFLE-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.82
Rot. Bonds1

About N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide

N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide (PubChem CID 134863137) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide
PubChem CID134863137
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC NameN-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide
SMILESCC(C)(C)N=C=NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O/c1-12(2,3)18-8-17-11(19)9-4-6-10(7-5-9)13(14,15)16/h4-7H,1-3H3
InChIKeyMZBAMXHBUAJFLE-UHFFFAOYSA-N
XLogP3.82
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide 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 N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide (CID 134863137) is N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide is CC(C)(C)N=C=NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide?
The InChIKey is MZBAMXHBUAJFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-12(2,3)18-8-17-11(19)9-4-6-10(7-5-9)13(14,15)16/h4-7H,1-3H3.
What are the key properties of N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide?
N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide has a molecular weight of 270.25 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butyliminomethylidene)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134863137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).