TL;DR: Benzamide, 4-(bis(2-chloroethyl)amino)-N,N-dimethyl- (CAS 122567-50-4) is a chemical compound with molecular formula C13H18Cl2N2O and molecular weight 288.07962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[bis(2-chloroethyl)amino]-N,N-dimethylbenzamide
Also Known As: 4-[bis(2-chloroethyl)amino]-N,N-dimethylbenzamide, Benzamide, 4-(bis(2-chloroethyl)amino)-N,N-dimethyl-, 4-(Bis(2-chloroethyl)amino)-N,N-dimethylbenzamide, 4-[BIS(2-CHLOROETHYL)AMINO]-N,N-DIMETHYL-BENZAMIDE, Benzamide,4-[bis(2-chloroethyl)amino]-N,N-dimethyl-
| Molecular Formula | C13H18Cl2N2O |
| Molecular Weight | 288.07962 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.07962 Da |
| Heavy Atoms | 18 |
| Complexity | 247.0 |
| SMILES | CN(C)C(=O)C1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | CMWKUHNLNXOMSD-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, 4-(bis(2-chloroethyl)amino)-N,N-dimethyl-. With a topological polar surface area (TPSA) of 23.6 Ų, Benzamide, 4-(bis(2-chloroethyl)amino)-N,N-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, 4-(bis(2-chloroethyl)amino)-N,N-dimethyl- has 0 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 Benzamide, 4-(bis(2-chloroethyl)amino)-N,N-dimethyl- is 122567-50-4.
The molecular formula of Benzamide, 4-(bis(2-chloroethyl)amino)-N,N-dimethyl- is C13H18Cl2N2O.
The molecular weight of Benzamide, 4-(bis(2-chloroethyl)amino)-N,N-dimethyl- is 288.07962 g/mol.
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