3-bromo-N-(3-chloro-4-cyanophenyl)benzamide
TL;DR: 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide (CAS 349401-85-0) is a chemical compound with molecular formula C14H8BrClN2O and molecular weight 333.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(3-chloro-4-cyanophenyl)benzamide
Also Known As: 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide, AB00102752-01, (3-bromophenyl)-N-(3-chloro-4-cyanophenyl)carboxamide
| Molecular Formula | C14H8BrClN2O |
|---|---|
| Molecular Weight | 333.95 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.95084 |
| Heavy Atoms | 19 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 349401-85-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2)C#N)Cl |
| InChIKey | BEJFCZKSANVYJJ-UHFFFAOYSA-N |
Product Overview
3-bromo-N-(3-chloro-4-cyanophenyl)benzamide (CAS 349401-85-0), with molecular formula C14H8BrClN2O and molecular weight 333.95 g/mol. IUPAC: 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide.
Chemical Property Profile of 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide
Property Insights of 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide
The XLogP value of 4.2 indicates that 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide 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 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide?
The CAS number of 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide is 349401-85-0.
What is the molecular formula of 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide?
The molecular formula of 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide is C14H8BrClN2O.
What is the molecular weight of 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide?
The molecular weight of 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide is 333.95 g/mol.
Where can I buy 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide?
You can request a quote for 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-(3-chloro-4-cyanophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.