N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
TL;DR: N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide (CAS 842115-98-4) is a chemical compound with molecular formula C18H15ClFN3O and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
Also Known As: AP-970/43481591, N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide, N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-4-cyano-2-fluoro-benzamide, N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-4-cyano-2-fluorobenzamide, N-[3-chloro-4-(pyrrolidin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
| Molecular Formula | C18H15ClFN3O |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 4.20328 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.08878 |
| Heavy Atoms | 24 |
| Complexity | 825.49896 |
Chemical Identifiers
| CAS Number | 842115-98-4 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F)Cl |
Product Overview
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide (CAS 842115-98-4), with molecular formula C18H15ClFN3O and molecular weight 343.09 g/mol. IUPAC: N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide.
Chemical Property Profile of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
Property Insights of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
The XLogP value of 4.20328 indicates that N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide 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 N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide?
The CAS number of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide is 842115-98-4.
What is the molecular formula of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide?
The molecular formula of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide is C18H15ClFN3O.
What is the molecular weight of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide?
The molecular weight of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide is 343.09 g/mol.
Where can I buy N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide?
You can request a quote for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-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-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.