2-chloro-N-isopropylbenzamide
TL;DR: 2-chloro-N-isopropylbenzamide (CAS 6952-97-2) is a chemical compound with molecular formula C10H12ClNO and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-propan-2-ylbenzamide
Also Known As: 2-chloro-N-isopropylbenzamide, 2-chloro-N-propan-2-ylbenzamide, starbld0029704, 2-chloro-N-(propan-2-yl)benzamide, N-Isopropyl-2-chlorobenzamide
| Molecular Formula | C10H12ClNO |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.06075 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 6952-97-2 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=CC=C1Cl |
| InChIKey | KZCIDWXYXMLKBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-chloro-N-isopropylbenzamide (CAS 6952-97-2), with molecular formula C10H12ClNO and molecular weight 197.06 g/mol. IUPAC: 2-chloro-N-propan-2-ylbenzamide.
Chemical Property Profile of 2-chloro-N-isopropylbenzamide
Property Insights of 2-chloro-N-isopropylbenzamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-isopropylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, 2-chloro-N-isopropylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-isopropylbenzamide 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 2-chloro-N-isopropylbenzamide?
The CAS number of 2-chloro-N-isopropylbenzamide is 6952-97-2.
What is the molecular formula of 2-chloro-N-isopropylbenzamide?
The molecular formula of 2-chloro-N-isopropylbenzamide is C10H12ClNO.
What is the molecular weight of 2-chloro-N-isopropylbenzamide?
The molecular weight of 2-chloro-N-isopropylbenzamide is 197.06 g/mol.
Where can I buy 2-chloro-N-isopropylbenzamide?
You can request a quote for 2-chloro-N-isopropylbenzamide 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-isopropylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-isopropylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.