| CAS Number | 1644308-41-7 |
| Catalog Number | AG01EUAR(AGN-PC-3H47HG) |
| Chemical Name | (2S)-N-(2-Benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxamide |
| IUPAC Name | (2S)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C25H21Cl3N2O2/c26-18-9-11-22(19(14-18)24(31)17-5-2-1-3-6-17)29-25(32)23-7-4-12-30(23)15-16-8-10-20(27)21(28)13-16/h1-3,5-6,8-11,13-14,23H,4,7,12,15H2,(H,29,32)/t23-/m0/s1 |
| InChI Key | WLFWZUYAEFPRSE-QHCPKHFHSA-N |
| MDL Number | MFCD30530151 |
| Molecular Formula | C25H21Cl3N2O2 |
| Molecular Weight | 487.8054 |
| SMILES | O=C([C@@H]1CCCN1CC1C=CC(Cl)=C(Cl)C=1)NC1C(C(=O)C2C=CC=CC=2)=CC(Cl)=CC=1 |
| Synonyms | (2S)-N-(2-Benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxamide,
1644308-41-7,
ZINC585681217,
(2S)-N-(4-Chloro-2-benzoylphenyl)-1-(3,4-dichlorobenzyl)pyrrolidine-2-carboxamide,
|
| Complexity | 657 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 486.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 487.805g/mol |
| Monoisotopic Mass | 486.067g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
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Certificate of Analysis
Lot Number