Basic information
- CAS
785836-69-3- Standard SMILES
O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1ccc(Br)cc1- InChIKey
JDHDIKNVYUFHKK-UHFFFAOYSA-N- Molecular formula
- C21H14BrClN2O2
- Average molar mass
- 441.7 g/mol
- Monoisotopic mass
- 439.99272
Names & identifiers
- Preferred name
- 4-bromo-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]benzamide
- IUPAC
- 4-bromo-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]benzamide
Names & synonyms
785836-69-34-bromo-N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]benzamide4-Bromo-N-(2-(4-chlorobenzyl)benzo[d]oxazol-5-yl)benzamide4-BROMO-N-{2-[(4-CHLOROPHENYL)METHYL]-1,3-BENZOXAZOL-5-YL}BENZAMIDECHEMBL241948DTXSID303884494-Bromo-N-[2-(4-chloro-benzyl)-benzooxazol-5-yl]-benzamide
Database identifiers
- CAS
785836-69-3- PubChem CID
- 3013301
- DTXSID
DTXSID30388449- ChEMBL
CHEMBL241948
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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