TL;DR: (2R)-{[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoic acid (CAS 1173685-74-9) is a chemical compound with molecular formula C18H15FN2O3 and molecular weight 326.10666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid
Also Known As: (2R)-{[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoic acid, (2R)-[(5-Fluoro-1-methyl-1H-indole-2-carbonyl)amino](phenyl)acetic acid, (2R)-2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid, (R)-2-(5-fluoro-1-methyl-1H-indole-2-carboxamido)-2-phenylacetic acid, 2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-2-phenyl-acetic Acid
| Molecular Formula | C18H15FN2O3 |
| Molecular Weight | 326.10666 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.10666 Da |
| Heavy Atoms | 24 |
| Complexity | 481.0 |
| SMILES | CN1C2=C(C=C(C=C2)F)C=C1C(=O)N[C@H](C3=CC=CC=C3)C(=O)O |
| InChIKey | BLCFYCADRMSJKO-MRXNPFEDSA-N |
The XLogP value of 3.0 indicates that (2R)-{[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-{[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoic acid. Following Lipinski's Rule of Five, (2R)-{[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoic 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 (2R)-{[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoic acid is 1173685-74-9.
The molecular formula of (2R)-{[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoic acid is C18H15FN2O3.
The molecular weight of (2R)-{[(5-fluoro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoic acid is 326.10666 g/mol.
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