Basic information
- CAS
2816-87-7- Standard SMILES
O=C(CNc1ccc(Cl)cc1)c1ccc(Br)cc1- InChIKey
OIRRSJPCKIXCNZ-UHFFFAOYSA-N- Molecular formula
- C14H11BrClNO
- Average molar mass
- 324.6 g/mol
- Monoisotopic mass
- 322.97125
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2-[(4-chlorophenyl)amino]ethanone
- IUPAC
- 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone
Names & synonyms
1-(4-bromophenyl)-2-[(4-chlorophenyl)amino]ethanone28012-58-01-(4-bromophenyl)-2-(4-chloroanilino)ethanone2816-87-7MFCD012203181-(4-Bromophenyl)-2-((4-chlorophenyl)amino)ethan-1-one1-(4-bromophenyl)-2-[(4-chlorophenyl)amino]ethan-1-one1-(4-Bromophenyl)-2-((4-chlorophenyl)amino)ethanoneCBMicro_037576Oprea1_640808MLS000683319CHEMBL1311509
Show more names
DTXSID10358100HMS2718N16AKOS022184506BS-36781SMR000267660BIM-0037523.P001DB-201021CS-0336062
Database identifiers
- CAS
2816-87-7- PubChem CID
- 877305
- DTXSID
DTXSID10358100- ChEMBL
CHEMBL1311509
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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