TL;DR: 3-chloro-4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide (CAS 689742-52-7) is a chemical compound with molecular formula C26H26ClN3O3 and molecular weight 463.16626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
Also Known As: AP-970/43274728, 3-chloro-4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide, 3-chloro-4-methoxy-N-{4-[4-(2-methylbenzoyl)-1-piperazinyl]phenyl}benzamide, 3-chloro-4-methoxy-N-(4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)benzamide
| Molecular Formula | C26H26ClN3O3 |
| Molecular Weight | 463.16626 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.16626 Da |
| Heavy Atoms | 33 |
| Complexity | 661.0 |
| SMILES | CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)Cl |
| InChIKey | USWJFUCTUAJNEN-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 3-chloro-4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide. Following Lipinski's Rule of Five, 3-chloro-4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide has 1 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 3-chloro-4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is 689742-52-7.
The molecular formula of 3-chloro-4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is C26H26ClN3O3.
The molecular weight of 3-chloro-4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is 463.16626 g/mol.
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