![N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide structure](/static/products/6913/691382-53-3.webp)
N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide
TL;DR: N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide (CAS 691382-53-3) is a chemical compound with molecular formula C9H5ClF4N2O2 and molecular weight 284.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide
Also Known As: N-(2-chloro-4-fluorophenyl)-N'-(trifluoroacetyl)urea, AP-906/42709388, N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide, F3181-0132, N-((2-chloro-4-fluorophenyl)carbamoyl)-2,2,2-trifluoroacetamide
| Molecular Formula | C9H5ClF4N2O2 |
|---|---|
| Molecular Weight | 284.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.99756 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 691382-53-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)Cl)NC(=O)NC(=O)C(F)(F)F |
| InChIKey | YFGOUXUPCIYCHJ-UHFFFAOYSA-N |
Product Overview
N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide (CAS 691382-53-3), with molecular formula C9H5ClF4N2O2 and molecular weight 284.00 g/mol. IUPAC: N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide
Property Insights of N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 58.2 Ų, N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide has 2 hydrogen bond donor(s) and 6 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-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide?
The CAS number of N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide is 691382-53-3.
What is the molecular formula of N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide?
The molecular formula of N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide is C9H5ClF4N2O2.
What is the molecular weight of N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide?
The molecular weight of N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide is 284.00 g/mol.
Where can I buy N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide?
You can request a quote for N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.