4-tert-butyl-N-(3-nitrophenyl)benzamide
TL;DR: 4-tert-butyl-N-(3-nitrophenyl)benzamide (CAS 324577-44-8) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(3-nitrophenyl)benzamide
Also Known As: 4-tert-butyl-N-(3-nitrophenyl)benzamide, 4-(tert-Butyl)-N-(3-nitrophenyl)benzamide, [4-(tert-butyl)phenyl]-N-(3-nitrophenyl)carboxamide, 651-537-8, RefChem:296414
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 324577-44-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | PWGMEYDBPPCPMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-butyl-N-(3-nitrophenyl)benzamide (CAS 324577-44-8), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: 4-tert-butyl-N-(3-nitrophenyl)benzamide.
Chemical Property Profile of 4-tert-butyl-N-(3-nitrophenyl)benzamide
Property Insights of 4-tert-butyl-N-(3-nitrophenyl)benzamide
The XLogP value of 4.8 indicates that 4-tert-butyl-N-(3-nitrophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-(3-nitrophenyl)benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-(3-nitrophenyl)benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-tert-butyl-N-(3-nitrophenyl)benzamide?
The CAS number of 4-tert-butyl-N-(3-nitrophenyl)benzamide is 324577-44-8.
What is the molecular formula of 4-tert-butyl-N-(3-nitrophenyl)benzamide?
The molecular formula of 4-tert-butyl-N-(3-nitrophenyl)benzamide is C17H18N2O3.
What is the molecular weight of 4-tert-butyl-N-(3-nitrophenyl)benzamide?
The molecular weight of 4-tert-butyl-N-(3-nitrophenyl)benzamide is 298.13 g/mol.
Where can I buy 4-tert-butyl-N-(3-nitrophenyl)benzamide?
You can request a quote for 4-tert-butyl-N-(3-nitrophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-(3-nitrophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-(3-nitrophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.