TL;DR: N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)amino]propanamide (CAS 1462-77-7) is a chemical compound with molecular formula C15H17Cl5N2O2 and molecular weight 431.97327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)amino]propanamide
Also Known As: N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)amino]propanamide, N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)am, N,N-Bis(2-chloroethyl)-Nalpha-(trichloroacetyl)phenylalaninamide, BENZENEPROPANAMIDE,N,N-BIS(2-CHLOROETHYL)-A-[(2,2,2-TRICHLOROACETYL)AMINO]-
| Molecular Formula | C15H17Cl5N2O2 |
| Molecular Weight | 431.97327 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.97327 Da |
| Heavy Atoms | 24 |
| Complexity | 405.0 |
| SMILES | C1=CC=C(C=C1)CC(C(=O)N(CCCl)CCCl)NC(=O)C(Cl)(Cl)Cl |
| InChIKey | BSQQEXBXBBGABB-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)amino]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)amino]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)amino]propanamide has 1 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 N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)amino]propanamide is 1462-77-7.
The molecular formula of N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)amino]propanamide is C15H17Cl5N2O2.
The molecular weight of N,N-bis(2-chloroethyl)-3-phenyl-2-[(2,2,2-trichloroacetyl)amino]propanamide is 431.97327 g/mol.
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