TL;DR: 3-[(4-Fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005153-53-6) is a chemical compound with molecular formula C15H16FNO3 and molecular weight 277.11142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-[(4-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid, 2-[(4-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid, 3-((4-fluorophenyl)carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[N-(4-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid, 6-[(4-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-5-carboxylic Acid
| Molecular Formula | C15H16FNO3 |
| Molecular Weight | 277.11142 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.11142 Da |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
| SMILES | C1CC2CC1C(C2C(=O)O)C(=O)NC3=CC=C(C=C3)F |
| InChIKey | OKDFUBBLRJMEHI-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(4-Fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(4-Fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is 1005153-53-6.
The molecular formula of 3-[(4-Fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is C15H16FNO3.
The molecular weight of 3-[(4-Fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is 277.11142 g/mol.
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