N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide
TL;DR: N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide (CAS 338976-91-3) is a chemical compound with molecular formula C15H14FN3O2 and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide
Also Known As: 9E-005, N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide, N-[(1E)-(dimethylamino)methylidene]-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide, N-[(dimethylamino)methylene]-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide
| Molecular Formula | C15H14FN3O2 |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 2.1149 |
| Topological Polar Surface Area | 65.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.107 |
| Heavy Atoms | 21 |
| Complexity | 704.4492 |
Chemical Identifiers
| CAS Number | 338976-91-3 |
|---|---|
| SMILES | CN(C)C=NC(=O)C1=CC(=CN1)C(=O)C2=CC=CC=C2F |
Product Overview
N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide (CAS 338976-91-3), with molecular formula C15H14FN3O2 and molecular weight 287.11 g/mol. IUPAC: N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide.
Chemical Property Profile of N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide
Property Insights of N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide
The XLogP value of 2.1149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide. The TPSA of 65.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide. Following Lipinski's Rule of Five, N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide 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-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide?
The CAS number of N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide is 338976-91-3.
What is the molecular formula of N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide?
The molecular formula of N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide is C15H14FN3O2.
What is the molecular weight of N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide?
The molecular weight of N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide is 287.11 g/mol.
Where can I buy N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide?
You can request a quote for N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(dimethylaminomethylidene)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.