2-chloro-4-nitro-N-(pyrimidin-2-yl)benzamide
Basic information
- CAS
312590-70-8- Standard SMILES
O=C(Nc1ncccn1)c1ccc([N+](=O)[O-])cc1Cl- InChIKey
PBBNAKFFEVLQKY-UHFFFAOYSA-N- Molecular formula
- C11H7ClN4O3
- Average molar mass
- 278.65 g/mol
- Monoisotopic mass
- 278.0206678
Names & identifiers
- Preferred name
- 2-chloro-4-nitro-N-(pyrimidin-2-yl)benzamide
- IUPAC
- 2-chloro-4-nitro-N-pyrimidin-2-ylbenzamide
Names & synonyms
2-chloro-4-nitro-N-(pyrimidin-2-yl)benzamide312590-70-8ZINC2362882-chloro-4-nitro-N-pyrimidin-2-ylbenzamideZINC002362882-Chloro-4-nitro-N-pyrimidin-2-yl-benzamideCambridge id 5572105Oprea1_495127Oprea1_655322MLS001207996CHEMBL1530508DTXSID701330346
Show more names
MFCD00804609STK042920AKOS0006736342CHLORO4NITRONPYRIMIDIN2YLBENZAMIDESMR000514847ZINC0000002362882CHLORO4NITRON(PYRIMIDIN2YL)BENZAMIDEEU-0000428
Database identifiers
- CAS
312590-70-8- PubChem CID
- 762937
- DTXSID
DTXSID701330346- ChEMBL
CHEMBL1530508
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
Solubility27.8 [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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