4(3H)-Quinazolinone, 5-chloro-3-(4-chloro-2-methylphenyl)-2-(fluoromethyl)-
Basic information
- CAS
49700-32-5- Standard SMILES
Cc1cc(Cl)ccc1-n1c(CF)nc2cccc(Cl)c2c1=O- InChIKey
WXTYULHXNBOFOX-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2FN2O
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 336.0232465
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 5-chloro-3-(4-chloro-2-methylphenyl)-2-(fluoromethyl)-
- IUPAC
- 5-chloro-3-(4-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 5-chloro-3-(4-chloro-2-methylphenyl)-2-(fluoromethyl)-49700-32-5BRN 08302375-Chloro-3-(4-chloro-2-methylphenyl)-2-(fluoromethyl)-4(3H)-quinazolinoneCHEMBL3246263DTXSID501979745-Chloro-3-(4-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4(3H)-one
Database identifiers
- CAS
49700-32-5- PubChem CID
- 63480
- DTXSID
DTXSID50197974- ChEMBL
CHEMBL3246263
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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