[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
Basic information
- CAS
847938-69-6- Standard SMILES
O=C(COC(=O)Cc1ccc(Br)cc1)Nc1ccc(Cl)cn1- InChIKey
XCIIMCBJEBZEAU-UHFFFAOYSA-N- Molecular formula
- C15H12BrClN2O3
- Average molar mass
- 383.62 g/mol
- Monoisotopic mass
- 381.97198
Names & identifiers
- Preferred name
- [2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
- IUPAC
- [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
Names & synonyms
[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetateMLS002249059CHEMBL1712131DTXSID601329863HMS3052J13AKOS033644459847938-69-6SMR001316510Z188291362-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl (4-bromophenyl)acetate
Database identifiers
- CAS
847938-69-6- PubChem CID
- 2569892
- DTXSID
DTXSID601329863- ChEMBL
CHEMBL1712131
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
Solubility3.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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