Basic information
- CAS
301225-17-2- Standard SMILES
Cc1ccccc1C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O- InChIKey
FHJCHFFYKOSHCA-UHFFFAOYSA-N- Molecular formula
- C18H15N3O4
- Average molar mass
- 337.3 g/mol
- Monoisotopic mass
- 337.10625597
Names & identifiers
- Preferred name
- N'-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methylbenzohydrazide
- IUPAC
- N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2-methylbenzohydrazide
- English name
- 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N'-(2-methylbenzoyl)acetohydrazide
- Molecular formula
- C18H15N3O4
- Molecular weight
- 337.33
Names & synonyms
N'-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methylbenzohydrazideMLS000584366CHEMBL1724737AKOS001485980SMR000203529ST50183572SR-01000410700SR-01000410700-12-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-N'-(2-METHYLBENZOYL)ACETOHYDRAZIDE2-(1,3-dioxobenzo[c]azolidin-2-yl)-N-[(2-methylphenyl)carbonylamino]acetamide2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 2-(2-methylbenzoyl)hydrazide
Database identifiers
- CAS
301225-17-2- PubChem CID
- 732297
- ChEMBL
CHEMBL1724737- EC Number
- 168-853-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Boiling point
- 625.754 · 625.754±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.38 · 8.380±0.10(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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