WLV
N-(3-fluorophenyl)-2-phenoxyacetamide
Created: | 2020-10-30 |
Last modified: | 2020-11-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | N-(3-fluorophenyl)-2-phenoxyacetamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-(3-fluorophenyl)-2-phenoxy-ethanamide |
Formula | C14 H12 F N O2 |
Molecular Weight | 245.249 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(Oc1ccccc1)C(=O)Nc2cccc(c2)F |
SMILES | CACTVS | 3.385 | Fc1cccc(NC(=O)COc2ccccc2)c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OCC(=O)Nc2cccc(c2)F |
Canonical SMILES | CACTVS | 3.385 | Fc1cccc(NC(=O)COc2ccccc2)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OCC(=O)Nc2cccc(c2)F |
InChI | InChI | 1.03 | InChI=1S/C14H12FNO2/c15-11-5-4-6-12(9-11)16-14(17)10-18-13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17) |
InChIKey | InChI | 1.03 | VTCNQCNGFQNSAO-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 723302 |