| CAS Number | 1445605-23-1 |
| Catalog Number | AG00AS52 |
| Chemical Name | Lu AF21934 |
| IUPAC Name | (1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide |
| InChI | InChI=1S/C14H16Cl2N2O2/c15-11-6-5-8(7-12(11)16)18-14(20)10-4-2-1-3-9(10)13(17)19/h5-7,9-10H,1-4H2,(H2,17,19)(H,18,20)/t9-,10+/m1/s1 |
| InChI Key | AVKZWCJNDWOBAM-ZJUUUORDSA-N |
| MDL Number | MFCD22576450 |
| Molecular Formula | C14H16Cl2N2O2 |
| Molecular Weight | 315.1950 |
| SMILES | ClC=1C=C(C=CC1Cl)NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)N |
| Synonyms | Lu AF21934,
N1-(3,4-dichlorophenyl)-cyclohexane-1,2-dicarboxamide,
Lu AF21934,
1445605-23-1,
(1S,2R)-N1-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide,
SCHEMBL18037189,
EX-A2416,
MFCD22576450,
ZINC95616968,
AKOS030629539,
AM80972,
CS-6483,
HY-100366,
AVKZWCJNDWOBAM-ZJUUUORDSA-N,
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| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.194g/mol |
| Monoisotopic Mass | 314.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number