Basic information
- CAS
314030-00-7- Standard SMILES
CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cn2)cc1- InChIKey
OFIJBCSFPAQJIR-UHFFFAOYSA-N- Molecular formula
- C16H17BrN2O
- Average molar mass
- 333.22 g/mol
- Monoisotopic mass
- 332.05243
Names & identifiers
- Preferred name
- N-(5-bromopyridin-2-yl)-4-tert-butylbenzamide
- IUPAC
- N-(5-bromo-2-pyridinyl)-4-tert-butylbenzamide
Names & synonyms
N-(5-bromopyridin-2-yl)-4-tert-butylbenzamide314030-00-7N-(5-Bromo-2-pyridinyl)-4-(1,1-dimethylethyl)benzamideCBMicro_037538Oprea1_041894DTXSID801211339STK121226AKOS003243842ST066959BIM-0037532.P001N-(5-bromo-2-pyridinyl)-4-tert-butylbenzamideSR-01000463175
Show more names
SR-01000463175-1[4-(tert-butyl)phenyl]-N-(5-bromo(2-pyridyl))carboxamide
Database identifiers
- CAS
314030-00-7- PubChem CID
- 877417
- DTXSID
DTXSID801211339
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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