4-Bromo-N-[(1H-indol-3-yl)(phenyl)methyl]-N-(4-nitrophenyl)benzamide
Basic information
- CAS
61123-57-7- Standard SMILES
O=C(c1ccc(Br)cc1)N(c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1c[nH]c2ccccc12- InChIKey
VTEJULBJIXRKDY-UHFFFAOYSA-N- Molecular formula
- C28H20BrN3O3
- Average molar mass
- 526.4 g/mol
- Monoisotopic mass
- 525.0688
Names & identifiers
- Preferred name
- 4-Bromo-N-[(1H-indol-3-yl)(phenyl)methyl]-N-(4-nitrophenyl)benzamide
- IUPAC
- 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-(4-nitrophenyl)benzamide
Names & synonyms
61123-57-7DTXSID408205874-Bromo-N-[(1H-indol-3-yl)(phenyl)methyl]-N-(4-nitrophenyl)benzamide
Database identifiers
- CAS
61123-57-7- PubChem CID
- 71399208
- DTXSID
DTXSID40820587
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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