1-Pyrrolidineacetic acid, 2-((2-(benzoylamino)phenyl)oxoacetyl)hydrazide
Basic information
- CAS
85080-20-2- Standard SMILES
O=C(CN1CCCC1)NNC(=O)C(=O)c1ccccc1NC(=O)c1ccccc1- InChIKey
IXZNOZKEEOSLFR-UHFFFAOYSA-N- Molecular formula
- C21H22N4O4
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.1641052
Names & identifiers
- Preferred name
- 1-Pyrrolidineacetic acid, 2-((2-(benzoylamino)phenyl)oxoacetyl)hydrazide
- IUPAC
- N-[2-[2-oxo-2-[2-(2-pyrrolidin-1-ylacetyl)hydrazinyl]acetyl]phenyl]benzamide
- English name
- 1-Pyrrolidineacetic acid, 2-((2-(benzoylamino)phenyl)oxoacetyl)hydrazi de
- Molecular formula
- C21H22N4O4
- Molecular weight
- 394.42
Names & synonyms
85080-20-21-Pyrrolidineacetic acid, 2-((2-(benzoylamino)phenyl)oxoacetyl)hydrazideDTXSID80234164RefChem:235189DTXCID80156655N-[2-(Oxo{2-[(pyrrolidin-1-yl)acetyl]hydrazin-1-yl}acetyl)phenyl]benzamide1-Pyrrolidineacetic acid, 2-((2-(benzoylamino)phenyl)oxoacetyl)hydrazi de1-Pyrrolidineacetic acid, 2-[2-[2-(benzoylamino)phenyl]-2-oxoacetyl]hydrazide
Database identifiers
- CAS
85080-20-2- PubChem CID
- 3069730
- DTXSID
DTXSID80234164
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Melting point
- 169 · 169-170 °C(Solv: ethanol (64-17-5))
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 7.7 · 7.70±0.43(Predicted)
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Compound notes
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