TL;DR: 3-[(3-Fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005153-51-4) is a chemical compound with molecular formula C16H18FNO3 and molecular weight 291.12708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-[(3-fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid, 2-[(3-fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid, 3-((3-fluoro-4-methylphenyl)carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(3-FLUORO-4-METHYLANILINO)CARBONYL]BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 3-[N-(3-fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic aci d
| Molecular Formula | C16H18FNO3 |
| Molecular Weight | 291.12708 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.12708 Da |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2C3CCC(C3)C2C(=O)O)F |
| InChIKey | YNTQHSWEUHEYAS-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Fluoro-4-methylphenyl)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-[(3-Fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(3-Fluoro-4-methylphenyl)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-[(3-Fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is 1005153-51-4.
The molecular formula of 3-[(3-Fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is C16H18FNO3.
The molecular weight of 3-[(3-Fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is 291.12708 g/mol.
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