3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide
TL;DR: 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide (CAS 647031-69-4) is a chemical compound with molecular formula C16H13BrFNO and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
Also Known As: 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide, (E)-3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide, (2E)-3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
| Molecular Formula | C16H13BrFNO |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 3.9178 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.01645 |
| Heavy Atoms | 20 |
| Complexity | 622.6289 |
Chemical Identifiers
| CAS Number | 647031-69-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)/C=C/C(=O)NCC2=CC=C(C=C2)F |
Product Overview
3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide (CAS 647031-69-4), with molecular formula C16H13BrFNO and molecular weight 333.02 g/mol. IUPAC: (E)-3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide.
Chemical Property Profile of 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide
Property Insights of 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide
The XLogP value of 3.9178 indicates that 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide 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 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide?
The CAS number of 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide is 647031-69-4.
What is the molecular formula of 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide?
The molecular formula of 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide is C16H13BrFNO.
What is the molecular weight of 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide?
The molecular weight of 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide is 333.02 g/mol.
Where can I buy 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide?
You can request a quote for 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromophenyl)-N-(4-fluorobenzyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.