H1P
Summary
| Name: | 1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one |
| Formula: | C16 H12 F N O |
| Formal charge: | 0 |
| Formula weight: | 253.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one |
| OpenEye OEToolkits | 2.0.6 | 1-[2-(4-fluorophenyl)phenyl]-3~{H}-pyrrol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(c(c1ccc(F)cc1)cc2)N3C(CC=C3)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H12FNO/c17-13-9-7-12(8-10-13)14-4-1-2-5-15(14)18-11-3-6-16(18)19/h1-5,7-11H,6H2 |
| InChIKey | InChI | 1.03 | XQHVGZKJQZFCRP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)c2ccccc2N3C=CCC3=O |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2ccccc2N3C=CCC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O |
