N-(3-chloro-4-methylphenyl)-2-cyanoacetamide
TL;DR: N-(3-chloro-4-methylphenyl)-2-cyanoacetamide (CAS 1185298-60-5) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chloro-4-methylphenyl)-2-cyanoacetamide
Also Known As: N-(3-chloro-4-methylphenyl)-2-cyanoacetamide, 8241AD, N-(3-chloro-4-methyl-phenyl)-2-cyano-acetamide, 2-cyano-N-[4-(propan-2-yl)phenyl]acetamide, Acetamide, N-(3-chloro-4-methylphenyl)-2-cyano-
Technical Specifications
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.04034 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04034 Da |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC#N)Cl |
| InChIKey | JTBKZCLPLQHRBI-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-chloro-4-methylphenyl)-2-cyanoacetamide
Property Insights of N-(3-chloro-4-methylphenyl)-2-cyanoacetamide
The XLogP value of 3.1 indicates that N-(3-chloro-4-methylphenyl)-2-cyanoacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, N-(3-chloro-4-methylphenyl)-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-methylphenyl)-2-cyanoacetamide 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 N-(3-chloro-4-methylphenyl)-2-cyanoacetamide?
The CAS number of N-(3-chloro-4-methylphenyl)-2-cyanoacetamide is 1185298-60-5.
What is the molecular formula of N-(3-chloro-4-methylphenyl)-2-cyanoacetamide?
The molecular formula of N-(3-chloro-4-methylphenyl)-2-cyanoacetamide is C10H9ClN2O.
What is the molecular weight of N-(3-chloro-4-methylphenyl)-2-cyanoacetamide?
The molecular weight of N-(3-chloro-4-methylphenyl)-2-cyanoacetamide is 208.04034 g/mol.
Where can I buy N-(3-chloro-4-methylphenyl)-2-cyanoacetamide?
You can request a quote for N-(3-chloro-4-methylphenyl)-2-cyanoacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-chloro-4-methylphenyl)-2-cyanoacetamide?
Yes, CoreyChem provides custom synthesis services for N-(3-chloro-4-methylphenyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.