2-Bromo-N-(2-{[(4-chlorophenyl)methyl]amino}pyridin-3-yl)benzamide
Basic information
- CAS
89154-25-6- Standard SMILES
O=C(Nc1cccnc1NCc1ccc(Cl)cc1)c1ccccc1Br- InChIKey
TWOFWVZPKVBZBP-UHFFFAOYSA-N- Molecular formula
- C19H15BrClN3O
- Average molar mass
- 416.7 g/mol
- Monoisotopic mass
- 415.0087
Names & identifiers
- Preferred name
- 2-Bromo-N-(2-{[(4-chlorophenyl)methyl]amino}pyridin-3-yl)benzamide
- IUPAC
- 2-bromo-N-[2-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
Names & synonyms
89154-25-6SCHEMBL10817223DTXSID406032512-Bromo-N-(2-{[(4-chlorophenyl)methyl]amino}pyridin-3-yl)benzamide
Database identifiers
- CAS
89154-25-6- PubChem CID
- 20184028
- DTXSID
DTXSID40603251
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
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Compound notes
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