2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
Basic information
- CAS
723753-92-2- Standard SMILES
O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccnc1Cl- InChIKey
PWEADSMTRVCTFZ-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2N3O2
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 351.0541321
Names & identifiers
- Preferred name
- 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
- IUPAC
- 2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
- English name
- 2-chloro-N-[3-chloro-2-(4-morpholinyl)phenyl]nicotinamide
- Molecular formula
- C16H15Cl2N3O2
- Molecular weight
- 352.22
Names & synonyms
723753-92-22-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)pyridine-3-carboxamide2-chloro-N-[3-chloro-2-(4-morpholinyl)phenyl]nicotinamideMLS000763263CHEMBL1381311HMS2800K08STK729394AKOS000469323SMR000439851AN-465/428872062-chloro-N-(3-chloro-2-morpholinophenyl)nicotinamide2-Chloro-N-(3-chloro-2-morpholin-4-yl-phenyl)-nicotinamide
Show more names
3-Pyridinecarboxamide, 2-chloro-N-[3-chloro-2-(4-morpholinyl)phenyl]-
2-chloro-N-[3-chloro-2-(morpholin-4-yl)phenyl]pyridine-3-carboxamide
Database identifiers
- CAS
723753-92-2- PubChem CID
- 1017982
- ChEMBL
CHEMBL1381311
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 450.6 · 450.6±45.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.70(Predicted)
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Related reactions
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Compound notes
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