Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-
TL;DR: Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro- (CAS 90593-85-4) is a chemical compound with molecular formula C16H11F2N3O2 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(cyanomethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
Also Known As: N-[[4-(cyanomethyl)phenyl]carbamoyl]-2,6-difluoro-benzamide, Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-, N-[[4-(cyanomethyl)phenyl]carbamoyl]-2,6-difluorobenzamide, 1-(2,6-Difluorobenzoyl)-3-[4-(cyanomethyl)phenyl]urea, 1-[4-(CYANOMETHYL)PHENYL]-3-(2,6-DIFLUOROBENZOYL)UREA
| Molecular Formula | C16H11F2N3O2 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.08194 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 90593-85-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)CC#N)F |
| InChIKey | WJBVZHOWTZOHBO-UHFFFAOYSA-N |
Product Overview
Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro- (CAS 90593-85-4), with molecular formula C16H11F2N3O2 and molecular weight 315.08 g/mol. IUPAC: N-[[4-(cyanomethyl)phenyl]carbamoyl]-2,6-difluorobenzamide.
Chemical Property Profile of Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-
Property Insights of Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-. Following Lipinski's Rule of Five, Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro- has 2 hydrogen bond donor(s) and 5 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 Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-?
The CAS number of Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro- is 90593-85-4.
What is the molecular formula of Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-?
The molecular formula of Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro- is C16H11F2N3O2.
What is the molecular weight of Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-?
The molecular weight of Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro- is 315.08 g/mol.
Where can I buy Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-?
You can request a quote for Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-(((4-(cyanomethyl)phenyl)amino)carbonyl)-2,6-difluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.