TL;DR: Benzamide, N-((5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H- 1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride (CAS 83736-28-1) is a chemical compound with molecular formula C25H24Cl3N3O2 and molecular weight 503.0934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide;hydrochloride
Also Known As: Benzamide, N-((5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H- 1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride, Benzamide, N-((5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride, N-[[5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide hydrochloride, N-{[5-(2,4-Dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}benzenecarboximidic acid--hydrogen chloride (1/1)
| Molecular Formula | C25H24Cl3N3O2 |
| Molecular Weight | 503.0934 g/mol |
| XLogP | 5.5096 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.0934 Da |
| Heavy Atoms | 33 |
| Complexity | 670.0 |
| SMILES | CN1C(CN=C(C2=C1C=C(C=C2)OC)C3=C(C=C(C=C3)Cl)Cl)CNC(=O)C4=CC=CC=C4.Cl |
| InChIKey | BVVVKYVESJUBEB-UHFFFAOYSA-N |
The XLogP value of 5.5096 indicates that Benzamide, N-((5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H- 1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.9 Ų, Benzamide, N-((5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H- 1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, N-((5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H- 1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzamide, N-((5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H- 1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride is 83736-28-1.
The molecular formula of Benzamide, N-((5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H- 1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride is C25H24Cl3N3O2.
The molecular weight of Benzamide, N-((5-(2,4-dichlorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H- 1,4-benzodiazepin-2-yl)methyl)-, monohydrochloride is 503.0934 g/mol.
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