N-Isopropyl 3-fluorobenzamide
TL;DR: N-Isopropyl 3-fluorobenzamide (CAS 459218-95-2) is a chemical compound with molecular formula C10H12FNO and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-propan-2-ylbenzamide
Also Known As: 3-Fluoro-N-isopropylbenzamide, N-ISOPROPYL 3-FLUOROBENZAMIDE, 3-fluoro-N-propan-2-ylbenzamide, 3-fluoro-N-isopropyl-benzamide, 3-fluoro-N-propan-2-yl-benzamide
| Molecular Formula | C10H12FNO |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 1.9639 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.09029 |
| Heavy Atoms | 13 |
| Complexity | 309.54797 |
Chemical Identifiers
| CAS Number | 459218-95-2 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC(=CC=C1)F |
Product Overview
N-Isopropyl 3-fluorobenzamide (CAS 459218-95-2), with molecular formula C10H12FNO and molecular weight 181.09 g/mol. IUPAC: 3-fluoro-N-propan-2-ylbenzamide.
Chemical Property Profile of N-Isopropyl 3-fluorobenzamide
Property Insights of N-Isopropyl 3-fluorobenzamide
The XLogP value of 1.9639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropyl 3-fluorobenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-Isopropyl 3-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isopropyl 3-fluorobenzamide has 1 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-Isopropyl 3-fluorobenzamide?
The CAS number of N-Isopropyl 3-fluorobenzamide is 459218-95-2.
What is the molecular formula of N-Isopropyl 3-fluorobenzamide?
The molecular formula of N-Isopropyl 3-fluorobenzamide is C10H12FNO.
What is the molecular weight of N-Isopropyl 3-fluorobenzamide?
The molecular weight of N-Isopropyl 3-fluorobenzamide is 181.09 g/mol.
Where can I buy N-Isopropyl 3-fluorobenzamide?
You can request a quote for N-Isopropyl 3-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropyl 3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyl 3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.