Basic information
- CAS
314029-45-3- Standard SMILES
Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(Br)cc4)c3)nc2c1- InChIKey
FBVCPDSZJBEOKN-UHFFFAOYSA-N- Molecular formula
- C22H17BrN2O2
- Average molar mass
- 421.3 g/mol
- Monoisotopic mass
- 420.04734
Names & identifiers
- Preferred name
- 4-bromo-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
- IUPAC
- 4-bromo-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
- English name
- 4-bromo-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
- Molecular formula
- C22H17BrN2O2
- Molecular weight
- 421.28658
Names & synonyms
4-bromo-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamideOprea1_709850MFCD01243279AKOS001607078AK-778/36934001SR-01000402063SR-01000402063-1
Database identifiers
- CAS
314029-45-3- PubChem CID
- 1216061
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 522
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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