TL;DR: Urea, N-(2,6-dichlorophenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- (CAS 145131-42-6) is a chemical compound with molecular formula C22H23Cl2N3O and molecular weight 415.12183 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Also Known As: Urea, N-(2,6-dichlorophenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)-, N-(2,6-Dichlorophenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)urea, N(sup 1)-(2,6-Dichlorophenyl)-N(sup 2)-(1-(1-methyl-3-indolyl)cyclopentylmethyl)urea, 1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea, N-(2,6-Dichlorophenyl)-N'-{[1-(1-methyl-1H-indol-3-yl)cyclopentyl]methyl}urea
| Molecular Formula | C22H23Cl2N3O |
| Molecular Weight | 415.12183 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 46.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.12183 Da |
| Heavy Atoms | 28 |
| Complexity | 544.0 |
| SMILES | CN1C=C(C2=CC=CC=C21)C3(CCCC3)CNC(=O)NC4=C(C=CC=C4Cl)Cl |
| InChIKey | CHSJDYFKZBMJEG-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that Urea, N-(2,6-dichlorophenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.1 Ų, Urea, N-(2,6-dichlorophenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-(2,6-dichlorophenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Urea, N-(2,6-dichlorophenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is 145131-42-6.
The molecular formula of Urea, N-(2,6-dichlorophenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is C22H23Cl2N3O.
The molecular weight of Urea, N-(2,6-dichlorophenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)- is 415.12183 g/mol.
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