N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide
TL;DR: N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide (CAS 431917-87-2) is a chemical compound with molecular formula C18H19ClN2O and molecular weight 314.12 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-methylbenzamide
Also Known As: AB00116469-01, AN-023/40810415, N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide, N-[3-chloro-4-(pyrrolidin-1-yl)phenyl]-4-methylbenzamide, N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-4-methylbenzamide
| Molecular Formula | C18H19ClN2O |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 4.50092 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1186 |
| Heavy Atoms | 22 |
| Complexity | 675.9866 |
Chemical Identifiers
| CAS Number | 431917-87-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3)Cl |
Product Overview
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide (CAS 431917-87-2), with molecular formula C18H19ClN2O and molecular weight 314.12 g/mol. IUPAC: N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide.
Chemical Property Profile of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide
Property Insights of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide
The XLogP value of 4.50092 indicates that N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide has 1 hydrogen bond donor(s) and 2 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-methylbenzamide?
The CAS number of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide is 431917-87-2.
What is the molecular formula of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide?
The molecular formula of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide is C18H19ClN2O.
What is the molecular weight of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide?
The molecular weight of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide is 314.12 g/mol.
Where can I buy N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide?
You can request a quote for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide 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-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.