N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide
TL;DR: N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide (CAS 852388-85-3) is a chemical compound with molecular formula C16H16ClN3O and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-chloroacetamide
Also Known As: N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide, N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-chloroacetamide, N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-chloro-acetamide, N-(1-Benzyl-3-cyano-4,5-dimethyl-2-pyrrolyl)-2-chloroacetamide, 2-chloranyl-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide
| Molecular Formula | C16H16ClN3O |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 3.20222 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.09818 |
| Heavy Atoms | 21 |
| Complexity | 698.54755 |
Chemical Identifiers
| CAS Number | 852388-85-3 |
|---|---|
| SMILES | CC1=C(N(C(=C1C#N)NC(=O)CCl)CC2=CC=CC=C2)C |
Product Overview
N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide (CAS 852388-85-3), with molecular formula C16H16ClN3O and molecular weight 301.10 g/mol. IUPAC: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-chloroacetamide.
Chemical Property Profile of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide
Property Insights of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide
The XLogP value of 3.20222 indicates that N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.82 Ų, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide 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-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide?
The CAS number of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide is 852388-85-3.
What is the molecular formula of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide?
The molecular formula of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide is C16H16ClN3O.
What is the molecular weight of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide?
The molecular weight of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide is 301.10 g/mol.
Where can I buy N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide?
You can request a quote for N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.