3-chloro-N-(pyridin-4-ylmethyl)benzamide
Basic information
- CAS
80819-04-1- Standard SMILES
O=C(NCc1ccncc1)c1cccc(Cl)c1- InChIKey
KMARTVRIBPTJMH-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0559907
Names & identifiers
- Preferred name
- 3-chloro-N-(pyridin-4-ylmethyl)benzamide
- IUPAC
- 3-chloro-N-(pyridin-4-ylmethyl)benzamide
Names & synonyms
3-chloro-N-(pyridin-4-ylmethyl)benzamide80819-04-1benzamide, 3-chloro-n-(4-pyridinylmethyl)-3-chloro-N-(4-pyridinylmethyl)benzamideCBMicro_012216Cambridge id 5564045Oprea1_169526Oprea1_181844DTXSID00355027SMSF0006194STK415238AKOS001371682
Show more names
CB15435BIM-0012287.P0013-Chloro-N-[(pyridin-4-yl)methyl]benzamideST50923782(3-chlorophenyl)-N-(4-pyridylmethyl)carboxamideAG-670/36773054SR-01000213504SR-01000213504-1
Database identifiers
- CAS
80819-04-1- PubChem CID
- 789752
- DTXSID
DTXSID00355027
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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