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N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide
TL;DR: N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide (CAS 749906-27-2) is a chemical compound with molecular formula C16H14FN3O4 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide
Also Known As: N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide
| Molecular Formula | C16H14FN3O4 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.4925 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.09683 |
| Heavy Atoms | 24 |
| Complexity | 744.9228 |
Chemical Identifiers
| CAS Number | 749906-27-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-] |
Product Overview
N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide (CAS 749906-27-2), with molecular formula C16H14FN3O4 and molecular weight 331.10 g/mol. IUPAC: N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide.
Chemical Property Profile of N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide
Property Insights of N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide
The XLogP value of 2.4925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide?
The CAS number of N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide is 749906-27-2.
What is the molecular formula of N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide?
The molecular formula of N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide is C16H14FN3O4.
What is the molecular weight of N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide?
The molecular weight of N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide is 331.10 g/mol.
Where can I buy N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide?
You can request a quote for N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(4-fluoroanilino)-3-oxopropyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.