N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide
TL;DR: N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide (CAS 331461-59-7) is a chemical compound with molecular formula C16H13ClN2O3 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Also Known As: N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide, N-benzyl-3-(4-chloro-3-nitrophenyl)prop-2-enamide
| Molecular Formula | C16H13ClN2O3 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 3.5778 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.06146 |
| Heavy Atoms | 22 |
| Complexity | 714.5858 |
Chemical Identifiers
| CAS Number | 331461-59-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide (CAS 331461-59-7), with molecular formula C16H13ClN2O3 and molecular weight 316.06 g/mol. IUPAC: N-benzyl-3-(4-chloro-3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide
Property Insights of N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide
The XLogP value of 3.5778 indicates that N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide. Following Lipinski's Rule of Five, N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide 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-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide?
The CAS number of N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide is 331461-59-7.
What is the molecular formula of N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide?
The molecular formula of N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide is C16H13ClN2O3.
What is the molecular weight of N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide?
The molecular weight of N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide is 316.06 g/mol.
Where can I buy N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide?
You can request a quote for N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-(4-chloro-3-nitrophenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.