| CAS Number | 162401-30-1 |
| Catalog Number | AG00ADFS(AGN-PC-0WAE8G) |
| Chemical Name | N-(3,5-DICHLORO-4-PYRIDINYL)-3,4-BIS(DIFLUOROMETHOXY)BENZAMIDE |
| IUPAC Name | N-(3,5-dichloropyridin-4-yl)-3,4-bis(difluoromethoxy)benzamide |
| InChI | InChI=1S/C14H8Cl2F4N2O3/c15-7-4-21-5-8(16)11(7)22-12(23)6-1-2-9(24-13(17)18)10(3-6)25-14(19)20/h1-5,13-14H,(H,21,22,23) |
| InChI Key | OIYBMFARPXRQBW-UHFFFAOYSA-N |
| MDL Number | MFCD00938268 |
| Molecular Formula | C14H8Cl2F4N2O3 |
| Molecular Weight | 399.1245 |
| SMILES | ClC=1C=NC=C(C1NC(C1=CC(=C(C=C1)OC(F)F)OC(F)F)=O)Cl |
| Synonyms | 162401-30-1,
3,4-Bis(difluoromethoxy) Roflumilast,
N-(3,5-Dichloro-4-pyridinyl)-3,4-bis(difluoromethoxy)benzamide,
Roflumilast Impurity H,
SCHEMBL2889923,
DTXSID00599363,
ZINC592416,
N-(3,5-dichloropyridin-4-yl)-3,4-bis(difluoromethoxy)benzamide,
AKOS030573262,
Bis-difluoromethoxy Roflumilast impurity,
FT-0663262,
A1-04253,
OIYBMFARPXRQBW-UHFFFAOYSA-N,
CS-T-06883,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.123g/mol |
| Monoisotopic Mass | 397.985g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number