N-Methylbenzamide
PubChem CID: 11954
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| Compound Synonyms | N-METHYLBENZAMIDE, 613-93-4, Benzamide, N-methyl-, N-Methylbenzenamide, N-Methyl-benzamide, N-Methylbenzenecarboxamide, CCRIS 4670, EINECS 210-362-3, NSC 42944, UNII-K3ED781E08, BRN 1209880, DTXSID5025570, AI3-01069, K3ED781E08, MFCD00011642, NSC-42944, METHYLBENZAMIDE, N-, DTXCID605570, NCCHARWOCKOHIH-UHFFFAOYSA-, 4-09-00-00727 (Beilstein Handbook Reference), NMethylbenzenamide, N-methyl benzamide, Benzamide, Nmethyl, NMethylbenzenecarboxamide, N-METHYLBENZENEAMIDE, WLN: 1MVR, SCHEMBL6100, N-Methylbenzamide, >=99%, CHEMBL275261, SCHEMBL7551593, SCHEMBL9580804, AAA61393, NSC42944, Tox21_200220, AKOS002304094, NCGC00091232-01, NCGC00091232-02, NCGC00257774-01, AS-11419, CAS-613-93-4, SY037937, DB-053865, HY-135848, CS-0114596, NS00021249, EN300-131692, F16588, AP-065/40250235, Q27281901, Z32016410, 210-362-3 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P27695, Q16236, P19838 |
| Iupac Name | N-methylbenzamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C8H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | NCCHARWOCKOHIH-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -0.806 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.004 |
| Compound Name | N-Methylbenzamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 135.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.068 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 135.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0829291999999997 |
| Inchi | InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10) |
| Smiles | CNC(=O)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all