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Molecule
Senicapoc
CAS: 289656-45-7 · C20H15F2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 289656-45-7
- Molecular Formula
- C20H15F2NO
- Molecular Mass
- 323.34 g/mol
Identifiers
CAS Registry Number
289656-45-7
SMILES
N=C(O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChI Key
SCTZUZTYRMOMKT-UHFFFAOYSA-N
InChI
InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
Names and Synonyms
- Senicapoc Common Name
- Benzeneacetamide, 4-fluoro-α-(4-fluorophenyl)-α-phenyl- Synonym
- 4-Fluoro-α-(4-fluorophenyl)-α-phenylbenzeneacetamide Synonym
- ICA 17043 Synonym
- Senicapoc Synonym
- 2,2-Bis(4-fluorophenyl)-2-phenylacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.34 g/mol | CAS Common Chemistry |
| 323.342 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Senicapoc | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C(C=1C=CC=CC1)(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=SCTZUZTYRMOMKT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 180-181 °C @ Solvent: Hexane, Dichloromethane | CAS Common Chemistry |
| Name | Senicapoc | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 4.834470000000002 | RDKit |
| 4.8345 | RDKit | |
| Molar Refractivity | 89.47950000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.05 | RDKit |
| Exact Mass | 323.11217054 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 323.34 g/mol. Edit any field — others recompute live.
