![N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide structure](/static/products/7745/774551-02-9.webp)
N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide
TL;DR: N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide (CAS 774551-02-9) is a chemical compound with molecular formula C18H19ClFN3O3 and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide
Also Known As: N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide, N-{3-[(2-chloro-4-nitrophenyl)amino]-2,2-dimethylpropyl}-4-fluorobenzamide
| Molecular Formula | C18H19ClFN3O3 |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 4.2554 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.1099 |
| Heavy Atoms | 26 |
| Complexity | 809.8287 |
Chemical Identifiers
| CAS Number | 774551-02-9 |
|---|---|
| SMILES | CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl)CNC(=O)C2=CC=C(C=C2)F |
Product Overview
N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide (CAS 774551-02-9), with molecular formula C18H19ClFN3O3 and molecular weight 379.11 g/mol. IUPAC: N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide.
Chemical Property Profile of N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide
Property Insights of N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide
The XLogP value of 4.2554 indicates that N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide has 2 hydrogen bond donor(s) and 4 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 N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide?
The CAS number of N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide is 774551-02-9.
What is the molecular formula of N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide?
The molecular formula of N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide is C18H19ClFN3O3.
What is the molecular weight of N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide?
The molecular weight of N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide is 379.11 g/mol.
Where can I buy N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide?
You can request a quote for N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(2-chloro-4-nitroanilino)-2,2-dimethylpropyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.