| CAS Number | 104040-43-9 |
| Catalog Number | AG00HA9U(AGN-PC-0JRG27) |
| Chemical Name | N-benzyl-3-hydroxynaphthalene-2-carboxamide |
| IUPAC Name | N-benzyl-3-hydroxynaphthalene-2-carboxamide |
| InChI | InChI=1S/C18H15NO2/c20-17-11-15-9-5-4-8-14(15)10-16(17)18(21)19-12-13-6-2-1-3-7-13/h1-11,20H,12H2,(H,19,21) |
| InChI Key | VFKWHSRZSNRCNU-UHFFFAOYSA-N |
| MDL Number | MFCD00578855 |
| Molecular Formula | C18H15NO2 |
| Molecular Weight | 277.3172 |
| SMILES | OC1=C(C(NCC2=CC=CC=C2)=O)C=C2C(C=CC=C2)=C1 |
| Synonyms | N-Benzyl-3-hydroxy-2-naphthamide,
N-benzyl-3-hydroxynaphthalene-2-carboxamide,
104040-43-9,
AC1L9WC7,
SCHEMBL10336421,
CTK7F6368,
AC1Q7992,
ZINC3346496,
MFCD00578855,
AKOS008916542,
MCULE-2019495332,
NE58420,
N-benzyl-3-hydroxy-naphthalene-2-carboxamide,
EN300-07770,
SR-01000062521,
SR-01000062521-1,
2-Naphthalenecarboxamide, 3-hydroxy-N-(phenylmethyl)-,
Z27749522,
AIDS010247,
CID457311,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.323g/mol |
| Monoisotopic Mass | 277.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number