N-phenethylbenzamide
PubChem CID: 95083
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| Compound Synonyms | N-phenethylbenzamide, 3278-14-6, N-(2-Phenylethyl)benzamide, N-phenethyl-benzamide, Benzamide, N-(2-phenylethyl)-, 4-(DICHLOROMETHYL)PYRIDINE HCL, NSC 16618, MFCD00441484, NSC 43723, N-phenethyl benzamide, Benzamide, N-(2-phenylethyl)- (9CI), N-(2-Phenethyl)benzamide, n-benzoyl-2-phenylethylamine, SCHEMBL751214, N-(2-Phenylethyl)benzamide #, CHEMBL4852435, Solifenacin Related Compound 21, DTXSID90186443, Benzoic acid-beta-phenylethylamide, CS-B0306, NSC16618, NSC43723, NSC-16618, NSC-43723, STK407996, AKOS000277620, BENZAMIDE,N-(2-PHENYLETHYL)-, IP11204, AC-22543, CS-16860, DA-76282, HY-32135, NS00029341, A11029, EN300-1087060, Z27761643 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-phenylethyl)benzamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H15NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | DAVRGGJTJDTVQT-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.086 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.974 |
| Compound Name | N-phenethylbenzamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.115 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 225.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7127571411764704 |
| Inchi | InChI=1S/C15H15NO/c17-15(14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17) |
| Smiles | C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Tuberculata (Plant) Rel Props:Source_db:cmaup_ingredients