N-(3-chloro-4-cyanophenyl)-3-methylbutanamide
TL;DR: N-(3-chloro-4-cyanophenyl)-3-methylbutanamide (CAS 349574-60-3) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-cyanophenyl)-3-methylbutanamide
Also Known As: N-(3-chloro-4-cyanophenyl)-3-methylbutanamide
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 3.19628 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 435.13516 |
Chemical Identifiers
| CAS Number | 349574-60-3 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=CC(=C(C=C1)C#N)Cl |
Product Overview
N-(3-chloro-4-cyanophenyl)-3-methylbutanamide (CAS 349574-60-3), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: N-(3-chloro-4-cyanophenyl)-3-methylbutanamide.
Chemical Property Profile of N-(3-chloro-4-cyanophenyl)-3-methylbutanamide
Property Insights of N-(3-chloro-4-cyanophenyl)-3-methylbutanamide
The XLogP value of 3.19628 indicates that N-(3-chloro-4-cyanophenyl)-3-methylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-chloro-4-cyanophenyl)-3-methylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-cyanophenyl)-3-methylbutanamide 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
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-cyanophenyl)-3-methylbutanamide?
The CAS number of N-(3-chloro-4-cyanophenyl)-3-methylbutanamide is 349574-60-3.
What is the molecular formula of N-(3-chloro-4-cyanophenyl)-3-methylbutanamide?
The molecular formula of N-(3-chloro-4-cyanophenyl)-3-methylbutanamide is C12H13ClN2O.
What is the molecular weight of N-(3-chloro-4-cyanophenyl)-3-methylbutanamide?
The molecular weight of N-(3-chloro-4-cyanophenyl)-3-methylbutanamide is 236.07 g/mol.
Where can I buy N-(3-chloro-4-cyanophenyl)-3-methylbutanamide?
You can request a quote for N-(3-chloro-4-cyanophenyl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-cyanophenyl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-cyanophenyl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.