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N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
TL;DR: N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide (CAS 478249-64-8) is a chemical compound with molecular formula C13H11F3N2O and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
Also Known As: Bionet2_001065, N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide, N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide, N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
| Molecular Formula | C13H11F3N2O |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.9635 |
| Topological Polar Surface Area | 44.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08234 |
| Heavy Atoms | 19 |
| Complexity | 561.51733 |
Chemical Identifiers
| CAS Number | 478249-64-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC=CN2 |
Product Overview
N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide (CAS 478249-64-8), with molecular formula C13H11F3N2O and molecular weight 268.08 g/mol. IUPAC: N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
Chemical Property Profile of N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
Property Insights of N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
The XLogP value of 2.9635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide. With a topological polar surface area (TPSA) of 44.89 Ų, N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide has 2 hydrogen bond donor(s) and 1 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-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
The CAS number of N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide is 478249-64-8.
What is the molecular formula of N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
The molecular formula of N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide is C13H11F3N2O.
What is the molecular weight of N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
The molecular weight of N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide is 268.08 g/mol.
Where can I buy N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
You can request a quote for N-[3-(trifluoromethyl)benzyl]-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-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.