3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methylphenyl)benzamide
Basic information
- CAS
438469-74-0- Standard SMILES
Cc1ccccc1NC(=O)c1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1- InChIKey
SOPSZIDTQABLCC-UHFFFAOYSA-N- Molecular formula
- C23H20N2O3
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.1473925
Names & identifiers
- Preferred name
- 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methylphenyl)benzamide
- IUPAC
- 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylphenyl)benzamide
- English name
- 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N-(2-methylphenyl)benzamide
- Molecular formula
- C23H20N2O3
- Molecular weight
- 372.4165
Names & synonyms
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-methylphenyl)benzamideOprea1_672855STK253031AKOS001678424AKOS022073565AK-918/13161309SR-01000494312SR-01000494312-13-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N-(2-methylphenyl)benzamide3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylphenyl)benzamide
Database identifiers
- CAS
438469-74-0- PubChem CID
- 4550304
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 687
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Compound notes
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