(E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide
TL;DR: (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide (CAS 1449411-08-8) is a chemical compound with molecular formula C17H13ClN2O and molecular weight 296.07166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide
Also Known As: (2E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide, (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide, (E)-N-benzyl-3-(3-chlorophenyl)-2-cyano-2-propenamide, N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide
Technical Specifications
| Molecular Formula | C17H13ClN2O |
| Molecular Weight | 296.07166 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.07166 Da |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=CC=C2)Cl)/C#N |
| InChIKey | IQWCPFMPOPVYKG-OQLLNIDSSA-N |
Chemical Property Profile of (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide
Property Insights of (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide
The XLogP value of 3.7 indicates that (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide 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
What is the CAS number of (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide?
The CAS number of (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide is 1449411-08-8.
What is the molecular formula of (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide?
The molecular formula of (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide is C17H13ClN2O.
What is the molecular weight of (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide?
The molecular weight of (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide is 296.07166 g/mol.
Where can I buy (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide?
You can request a quote for (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for (E)-N-benzyl-3-(3-chlorophenyl)-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.