TL;DR: 2-chloro-N-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)acetamide (CAS 136819-68-6) is a chemical compound with molecular formula C17H17ClN2O and molecular weight 300.10294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)acetamide
Also Known As: BAS 00690757, 2-chloro-N-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)acetamide, 2-chloro-N-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)acetamide, 2-chloro-N-(2-cyanospiro[3,4-dihydronaphthalene-3,1'-cyclopentane]yl)acetamide, 2-CHLORO-N-{3'-CYANO-1'H-SPIRO[CYCLOPENTANE-1,2'-NAPHTHALEN]-4'-YL}ACETAMIDE
| Molecular Formula | C17H17ClN2O |
| Molecular Weight | 300.10294 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.10294 Da |
| Heavy Atoms | 21 |
| Complexity | 510.0 |
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C(=C2C#N)NC(=O)CCl |
| InChIKey | WUVBGWREWHFXMG-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 2-chloro-N-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 2-chloro-N-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)acetamide 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 2-chloro-N-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)acetamide is 136819-68-6.
The molecular formula of 2-chloro-N-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)acetamide is C17H17ClN2O.
The molecular weight of 2-chloro-N-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)acetamide is 300.10294 g/mol.
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