N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide
TL;DR: N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide (CAS 700347-73-5) is a chemical compound with molecular formula C17H15ClN2O and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide
Also Known As: N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide, AN-329/43465168, (4-chlorophenyl)-N-(2-cyanoethyl)-N-benzylcarboxamide
| Molecular Formula | C17H15ClN2O |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 3.89608 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.08728 |
| Heavy Atoms | 21 |
| Complexity | 632.0897 |
Chemical Identifiers
| CAS Number | 700347-73-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=CC=C(C=C2)Cl |
Product Overview
N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide (CAS 700347-73-5), with molecular formula C17H15ClN2O and molecular weight 298.09 g/mol. IUPAC: N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide.
Chemical Property Profile of N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide
Property Insights of N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide
The XLogP value of 3.89608 indicates that N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide has 0 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-benzyl-4-chloro-N-(2-cyanoethyl)benzamide?
The CAS number of N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide is 700347-73-5.
What is the molecular formula of N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide?
The molecular formula of N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide is C17H15ClN2O.
What is the molecular weight of N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide?
The molecular weight of N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide is 298.09 g/mol.
Where can I buy N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide?
You can request a quote for N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-chloro-N-(2-cyanoethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.