Basic information
- CAS
50741-85-0- Standard SMILES
O=C(CC12CC3CC(CC(Br)(C3)C1)C2)Nc1ccccc1C(=O)O- InChIKey
MASSBWMZDORVSO-UHFFFAOYSA-N- Molecular formula
- C19H22BrNO3
- Average molar mass
- 392.3 g/mol
- Monoisotopic mass
- 391.07831
Names & identifiers
- Preferred name
- Anthranilic acid, N-(5-bromo-3-adamantylacetyl)-
- IUPAC
- 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoic acid
Names & synonyms
BRN 2888250N-(5-Bromo-3-adamantylmethylcarbonyl)anthranilic acid50741-85-0ANTHRANILIC ACID, N-(5-BROMO-3-ADAMANTYLACETYL)-2-(((3-Bromotricyclo(3.3.1.1(sup 3,7))dec-1-yl)acetyl)amino)benzoic acidBenzoic acid, 2-(((3-bromotricyclo(3.3.1.1(sup 3,7))dec-1-yl)acetyl)amino)-RefChem:319820DTXSID209649782-{[2-(3-Bromoadamantan-1-yl)-1-hydroxyethylidene]amino}benzoic acid
Database identifiers
- CAS
50741-85-0- PubChem CID
- 39772
- DTXSID
DTXSID20964978
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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