WRV
Summary
| Name: | N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea |
| Formula: | C11 H15 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 226.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea |
| OpenEye OEToolkits | 2.0.7 | 1-(3-fluoranyl-4-methyl-phenyl)-3-[(2~{S})-1-oxidanylpropan-2-yl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C)CO)C(Nc1ccc(c(c1)F)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H15FN2O2/c1-7-3-4-9(5-10(7)12)14-11(16)13-8(2)6-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14,16)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | ONARABRJRRBWJE-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CO)NC(=O)Nc1ccc(C)c(F)c1 |
| SMILES | CACTVS | 3.385 | C[CH](CO)NC(=O)Nc1ccc(C)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1F)NC(=O)N[C@@H](C)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1F)NC(=O)NC(C)CO |
