Basic information
- Standard SMILES
COC(=O)c1ccc(C)c(NC(=O)c2cc(Br)ccc2F)c1C- InChIKey
KTYUWEYLNLSDEM-UHFFFAOYSA-N- Molecular formula
- C17H15BrFNO3
- Average molar mass
- 380.2 g/mol
- Monoisotopic mass
- 379.02193
Names & identifiers
- Preferred name
- Methyl 3-[(5-bromo-2-fluoro-benzoyl)amino]-2,4-dimethyl-benzoate
- IUPAC
- methyl 3-[(5-bromo-2-fluorobenzoyl)amino]-2,4-dimethylbenzoate
Names & synonyms
1529760-82-4methyl 3-[(5-bromo-2-fluoro-benzoyl)amino]-2,4-dimethyl-benzoateSCHEMBL15398896KTYUWEYLNLSDEM-UHFFFAOYSA-NDA-44116
Database identifiers
- PubChem CID
- 86707315
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
4 records
Compound notes
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