| CAS Number | 554404-47-6 |
| Catalog Number | AG019GVS |
| Chemical Name | N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide |
| IUPAC Name | N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide |
| InChI | InChI=1S/C17H16Cl2N2O4/c1-24-14-5-3-10(18)7-12(14)20-16(22)9-17(23)21-13-8-11(19)4-6-15(13)25-2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23) |
| InChI Key | RLYMXOOGAFQPJB-UHFFFAOYSA-N |
| MDL Number | MFCD03965310 |
| Molecular Formula | C17H16Cl2N2O4 |
| Molecular Weight | 383.2259 |
| SMILES | COC1=C(NC(CC(NC2=C(OC)C=CC(Cl)=C2)=O)=O)C=C(Cl)C=C1 |
| Synonyms | N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide,
554404-47-6,
N,N'-Bis-(5-chloro-2-methoxy-phenyl)-malonamide,
AC1Q4CMD,
AC1M5VG4,
MLS001166704,
SCHEMBL2011023,
CHEMBL1352276,
CTK7A6823,
HMS2918F23,
ZINC3269843,
AKOS000115183,
MCULE-7328235223,
NE24201,
SMR000594911,
EN300-01442,
Z56887782,
ZINC03269843,
CID2386166,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.225g/mol |
| Monoisotopic Mass | 382.049g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number