N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide
TL;DR: N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide (CAS 478032-92-7) is a chemical compound with molecular formula C21H18FN3O and molecular weight 347.14 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)-4-fluorobenzamide
Also Known As: 3P-352S, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzamide, N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-4-fluorobenzamide, N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-4-fluoro-benzamide
| Molecular Formula | C21H18FN3O |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 4.41632 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.1434 |
| Heavy Atoms | 26 |
| Complexity | 982.83594 |
Chemical Identifiers
| CAS Number | 478032-92-7 |
|---|---|
| SMILES | CC1=C(N(C(=C1C#N)NC(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3)C |
Product Overview
N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide (CAS 478032-92-7), with molecular formula C21H18FN3O and molecular weight 347.14 g/mol. IUPAC: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-4-fluorobenzamide.
Chemical Property Profile of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide
Property Insights of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide
The XLogP value of 4.41632 indicates that N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide 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)-4-fluorobenzenecarboxamide 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)-4-fluorobenzenecarboxamide 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)-4-fluorobenzenecarboxamide?
The CAS number of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide is 478032-92-7.
What is the molecular formula of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide?
The molecular formula of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide is C21H18FN3O.
What is the molecular weight of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide?
The molecular weight of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide is 347.14 g/mol.
Where can I buy N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide?
You can request a quote for N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide 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)-4-fluorobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.