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Basic information
- Standard SMILES
COP(=O)(Cc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1)OC- InChIKey
NVUUJIJEPZUFKI-UHFFFAOYSA-N- Molecular formula
- C21H29ClNO4P
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 425.1522731
Names & identifiers
- Preferred name
- [[4-Chloro-3-[[(tricyclo[3.3.1.13,7]dec-1-ylmethyl)amino]carbonyl]phenyl]-methyl]phosphonic acid, dimethyl ester
- IUPAC
- N-(1-adamantylmethyl)-2-chloro-5-(dimethoxyphosphorylmethyl)benzamide
Names & synonyms
NVUUJIJEPZUFKI-UHFFFAOYSA-N[[4-chloro-3-[[(tricyclo[3.3.1.13,7]dec-1-ylmethyl)amino]carbonyl]phenyl]-methyl]phosphonic acid, dimethyl ester[[4-chloro-3-[[(tricyclo[3.3.1.13,7]dec-1-ylmethyl)amino]carbonyl]phenyl]methyl]phosphonic acid, dimethyl ester
Database identifiers
- PubChem CID
- 86758648
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
2 records
Compound notes
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