N-(3-fluorophenyl)-2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinyl]acetamide
Basic information
- CAS
730953-80-7- Standard SMILES
Cc1ccc(C(C)C)c(OCC(=O)NNCC(=O)Nc2cccc(F)c2)c1- InChIKey
KPMHXVVJKCYCRV-UHFFFAOYSA-N- Molecular formula
- C20H24FN3O3
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.1801698
Names & identifiers
- Preferred name
- N-(3-fluorophenyl)-2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinyl]acetamide
- IUPAC
- N-(3-fluorophenyl)-2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinyl]acetamide
Names & synonyms
N-(3-fluorophenyl)-2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinyl]acetamideMLS002245191CHEMBL1887408DTXSID001327221HMS3045O17AKOS034467343730953-80-7SMR001308850SR-01000047033SR-01000047033-1Z56944105N-(3-Fluorophenyl)-2-(2-{[5-methyl-2-(propan-2-yl)phenoxy]acetyl}hydrazinyl)acetamide
Database identifiers
- CAS
730953-80-7- PubChem CID
- 3301236
- DTXSID
DTXSID001327221- ChEMBL
CHEMBL1887408
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Experimental & physicochemical properties
Solubility7.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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