N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide (CAS 332021-53-1) is a chemical compound with molecular formula C15H12ClNO3 and molecular weight 289.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide, BAS 00804408, N-Benzo[1,3]dioxol-5-ylmethyl-3-chloro-benzamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)(3-chlorophenyl)carboxamide
Technical Specifications
| Molecular Formula | C15H12ClNO3 |
| Molecular Weight | 289.05057 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.05057 Da |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)Cl |
| InChIKey | WRKICKWPIFFYHQ-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide
The XLogP value of 3.3 indicates that N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide 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
What is the CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide is 332021-53-1.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide is C15H12ClNO3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide is 289.05057 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.