| CID | 1199985 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 667 |
| pubchem_cactvs_hbond_acceptor | 6 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 9 |
| pubchem_cactvs_subskeys | AAADceB7OQAAAAAAAAAAAAAAAAAAASJAAAAwYMAAAAAAAEgB1AAAHwAQAAAADATBmA8wDoPABECIAqFSEAKCCAAkIAAIiIHOjMgfJjKEtT+nOSrkxhGeqYe43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-(4-fluorobenzyl)-2-furamide |
| pubchem_nist_inchi | InChI=1S/C28H25FN2O4/c29-23-9-6-20(7-10-23)15-30-28(32)26-13-11-24(35-26)18-31(16-21-4-2-1-3-5-21)17-22-8-12-25-27(14-22)34-19-33-25/h1-14H,15-19H2,(H,30,32) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 472.179836 |
| pubchem_molecular_formula | C28H25FN2O4 |
| pubchem_molecular_weight | 472.507503 |
| pubchem_openeye_can_smiles | C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)NCC5=CC=C(C=C5)F |
| pubchem_openeye_iso_smiles | C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)NCC5=CC=C(C=C5)F |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 472.179836 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 35 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 2 |
| pubchem_bondannotations | 11 14 8
11 15 8
12 18 8
13 20 8
13 21 8
14 16 8
15 19 8
16 17 8
17 19 8
18 23 8
2 12 8
2 22 8
20 25 8
21 26 8
22 23 8
25 28 8
26 28 8
30 31 8
30 32 8
31 33 8
32 34 8
33 35 8
34 35 8 |
