Basic information
- CAS
554438-80-1- Standard SMILES
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCC1- InChIKey
STUVJOFEKZROQD-UHFFFAOYSA-N- Molecular formula
- C15H18Cl2N2O3
- Average molar mass
- 345.2 g/mol
- Monoisotopic mass
- 344.0694478
Names & identifiers
- Preferred name
- N'-[4-(2,4-dichlorophenoxy)butanoyl]cyclobutanecarbohydrazide
- IUPAC
- N'-[4-(2,4-dichlorophenoxy)butanoyl]cyclobutanecarbohydrazide
Names & synonyms
N'-[4-(2,4-dichlorophenoxy)butanoyl]cyclobutanecarbohydrazideN'-(4-(2,4-Dichlorophenoxy)butanoyl)cyclobutanecarbohydrazideMLS001005135CHEMBL1308518DTXSID301331023HMS2742B22AKOS034136256554438-80-1SMR000378029Z30540338
Database identifiers
- CAS
554438-80-1- PubChem CID
- 2432964
- DTXSID
DTXSID301331023- ChEMBL
CHEMBL1308518
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
Solubility8.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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