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N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
TL;DR: N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide (CAS 42600-84-0) is a chemical compound with molecular formula C18H20F3NO and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
Also Known As: N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide, N-[3-(trifluoromethyl)phenyl]-1-adamantanecarboxamide, UPCMLD0ENAT5414598:001, BAS 00403357, adamantanyl-N-[3-(trifluoromethyl)phenyl]carboxamide
| Molecular Formula | C18H20F3NO |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.1497 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 42600-84-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F |
| InChIKey | HFGKXGVVJZHNEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide (CAS 42600-84-0), with molecular formula C18H20F3NO and molecular weight 323.15 g/mol. IUPAC: N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide.
Chemical Property Profile of N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
Property Insights of N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
The XLogP value of 5.1 indicates that N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide?
The CAS number of N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide is 42600-84-0.
What is the molecular formula of N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide?
The molecular formula of N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide is C18H20F3NO.
What is the molecular weight of N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide?
The molecular weight of N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide is 323.15 g/mol.
Where can I buy N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide?
You can request a quote for N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.