N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide
TL;DR: N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide (CAS 243963-41-9) is a chemical compound with molecular formula C12H14Cl2FNO and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
Also Known As: N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide, 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
| Molecular Formula | C12H14Cl2FNO |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 3.3603 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.04364 |
| Heavy Atoms | 17 |
| Complexity | 420.9667 |
Chemical Identifiers
| CAS Number | 243963-41-9 |
|---|---|
| SMILES | CC(C)(CCl)C(=O)NCC1=CC(=C(C=C1)F)Cl |
Product Overview
N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide (CAS 243963-41-9), with molecular formula C12H14Cl2FNO and molecular weight 277.04 g/mol. IUPAC: 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide.
Chemical Property Profile of N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide
Property Insights of N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide
The XLogP value of 3.3603 indicates that N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide has 1 hydrogen bond donor(s) and 1 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 N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide?
The CAS number of N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide is 243963-41-9.
What is the molecular formula of N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide?
The molecular formula of N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide is C12H14Cl2FNO.
What is the molecular weight of N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide?
The molecular weight of N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide is 277.04 g/mol.
Where can I buy N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide?
You can request a quote for N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(3-chloro-4-fluorobenzyl)-3-chloro-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.