Basic information
- CAS
51032-23-6- Standard SMILES
CC12CC3CC(CBr)(C1)CC(C(=O)Nc1ccccc1C(=O)O)(C3)C2- InChIKey
CYVIYFFJHIHWIR-UHFFFAOYSA-N- Molecular formula
- C20H24BrNO3
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 405.09396
Names & identifiers
- Preferred name
- Anthranilic acid, N-(7-bromomethyl-5-methyl-3-adamantylcarbonyl)-
- IUPAC
- 2-[[3-(bromomethyl)-5-methyladamantane-1-carbonyl]amino]benzoic acid
Names & synonyms
BRN 2905707N-(7-Bromomethyl-5-methyl-3-adamantylcarbonyl)anthranilic acid51032-23-6N-(7-Bromomethyl-5-methyl-3-adamantoyl)anthranilic acidAnthranilic acid, N-(7-bromomethyl-5-methyl-3-adamantylcarbonyl)-Benzoic acid, 2-(((3-(bromomethyl)-5-methyltricyclo(3.3.1.1(sup 3,7))dec-1-yl)carbonyl)amino)-RefChem:319824DTXSID909653112-({[3-(Bromomethyl)-5-methyladamantan-1-yl](hydroxy)methylidene}amino)benzoic acid
Database identifiers
- CAS
51032-23-6- PubChem CID
- 64362
- DTXSID
DTXSID90965311
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
- 25
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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