TL;DR: 2H-1-Benzopyran-3-carboxamide, N-(2-aminophenyl)-2-oxo- (CAS 111947-29-6) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-aminophenyl)-2-oxochromene-3-carboxamide
Also Known As: N-(2-aminophenyl)-2-oxochromene-3-carboxamide, coumarin-3-N-(2'-aminophenyl) carboxamide, 2H-1-Benzopyran-3-carboxamide, N-(2-aminophenyl)-2-oxo-, N-(2-aminophenyl)-2-oxo-chromene-3-carboxamide, N-(2-Aminophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
| Molecular Formula | C16H12N2O3 |
| Molecular Weight | 280.08478 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.08478 Da |
| Heavy Atoms | 21 |
| Complexity | 460.0 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC=CC=C3N |
| InChIKey | CKZMMZIIGOLNED-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3-carboxamide, N-(2-aminophenyl)-2-oxo-. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-3-carboxamide, N-(2-aminophenyl)-2-oxo-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carboxamide, N-(2-aminophenyl)-2-oxo- 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 2H-1-Benzopyran-3-carboxamide, N-(2-aminophenyl)-2-oxo- is 111947-29-6.
The molecular formula of 2H-1-Benzopyran-3-carboxamide, N-(2-aminophenyl)-2-oxo- is C16H12N2O3.
The molecular weight of 2H-1-Benzopyran-3-carboxamide, N-(2-aminophenyl)-2-oxo- is 280.08478 g/mol.
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