TL;DR: 2-[2-[(3-nitrophenyl)carbamoyl]phenyl]acetic Acid (CAS 126069-80-5) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(3-nitrophenyl)carbamoyl]phenyl]acetic acid
Also Known As: 2-[2-[(3-nitrophenyl)carbamoyl]phenyl]acetic Acid, 2-{2-[(3-nitrophenyl)carbamoyl]phenyl}acetic acid, {2-[(3-nitrophenyl)carbamoyl]phenyl}acetic acid, 2-(2-(N-(3-nitrophenyl)carbamoyl)phenyl)acetic acid, 2-{2-[N-(3-nitrophenyl)carbamoyl]phenyl}acetic acid
| Molecular Formula | C15H12N2O5 |
| Molecular Weight | 300.07462 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07462 Da |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | NRNCPFWSAOSRER-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-[(3-nitrophenyl)carbamoyl]phenyl]acetic Acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[(3-nitrophenyl)carbamoyl]phenyl]acetic Acid. Following Lipinski's Rule of Five, 2-[2-[(3-nitrophenyl)carbamoyl]phenyl]acetic Acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[2-[(3-nitrophenyl)carbamoyl]phenyl]acetic Acid is 126069-80-5.
The molecular formula of 2-[2-[(3-nitrophenyl)carbamoyl]phenyl]acetic Acid is C15H12N2O5.
The molecular weight of 2-[2-[(3-nitrophenyl)carbamoyl]phenyl]acetic Acid is 300.07462 g/mol.
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