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Benzamide | SBID = 274 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 43.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 98.8 | ||
| Sum Formula: | C7H7NO | ||
| M / g/mol: | 121.139 | ||
| Complexity: | 106.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic
- Name: Benzamide
- Preferred Abbreviation: Benzamide
- IUPAC Name: benzamide
- CAS: 55-21-0
- CID: 2331
- InChiKey: KXDAEFPNCMNJSK-UHFFFAOYSA-N
- InChi: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
- CanoSmiles: C1=CC=C(C=C1)C(=O)N
- IsoSmiles: C1=CC=C(C=C1)C(=O)N
