TL;DR: 5-chloro-3-methyl-N'-[(E)-phenylmethylidene]-1H-indole-2-carbohydrazide (CAS 121649-78-3) is a chemical compound with molecular formula C17H14ClN3O and molecular weight 311.08255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-benzylideneamino]-5-chloro-3-methyl-1H-indole-2-carboxamide
Also Known As: 5-chloro-3-methyl-N'-[(E)-phenylmethylidene]-1H-indole-2-carbohydrazide, (E)-N'-benzylidene-5-chloro-3-methyl-1H-indole-2-carbohydrazide, N-[(E)-benzylideneamino]-5-chloro-3-methyl-1H-indole-2-carboxamide, N-((1E)-2-phenyl-1-azavinyl)(5-chloro-3-methylindol-2-yl)carboxamide, 5-Chloro-3-methyl-1H-indole-2-carboxylic acid [1-phenyl-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C17H14ClN3O |
| Molecular Weight | 311.08255 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.08255 Da |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
| SMILES | CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)N/N=C/C3=CC=CC=C3 |
| InChIKey | LVMAAZVSLGNJHV-VXLYETTFSA-N |
The XLogP value of 4.3 indicates that 5-chloro-3-methyl-N'-[(E)-phenylmethylidene]-1H-indole-2-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.3 Ų, 5-chloro-3-methyl-N'-[(E)-phenylmethylidene]-1H-indole-2-carbohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-3-methyl-N'-[(E)-phenylmethylidene]-1H-indole-2-carbohydrazide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-chloro-3-methyl-N'-[(E)-phenylmethylidene]-1H-indole-2-carbohydrazide is 121649-78-3.
The molecular formula of 5-chloro-3-methyl-N'-[(E)-phenylmethylidene]-1H-indole-2-carbohydrazide is C17H14ClN3O.
The molecular weight of 5-chloro-3-methyl-N'-[(E)-phenylmethylidene]-1H-indole-2-carbohydrazide is 311.08255 g/mol.
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