![2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide structure](/static/products/4497/449771-08-8.webp)
2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide
TL;DR: 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide (CAS 449771-08-8) is a chemical compound with molecular formula C16H16ClN3O2 and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
Also Known As: 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide, BAS 06856700, 2-chloro-N-(3-isobutyramidophenyl)nicotinamide, AP-970/41349887, 2-Chloro-N-(3-isobutyrylamino-phenyl)-nicotinamide
| Molecular Formula | C16H16ClN3O2 |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 3.5818 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0931 |
| Heavy Atoms | 22 |
| Complexity | 701.2952 |
Chemical Identifiers
| CAS Number | 449771-08-8 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=C(N=CC=C2)Cl |
Product Overview
2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide (CAS 449771-08-8), with molecular formula C16H16ClN3O2 and molecular weight 317.09 g/mol. IUPAC: 2-chloro-N-[3-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide.
Chemical Property Profile of 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide
Property Insights of 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide
The XLogP value of 3.5818 indicates that 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide. Following Lipinski's Rule of Five, 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide has 2 hydrogen bond donor(s) and 3 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 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide?
The CAS number of 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide is 449771-08-8.
What is the molecular formula of 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide?
The molecular formula of 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide is C16H16ClN3O2.
What is the molecular weight of 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide?
The molecular weight of 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide is 317.09 g/mol.
Where can I buy 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide?
You can request a quote for 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[3-(isobutyrylamino)phenyl]nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.