7-bromo-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Basic information
- CAS
86890-79-1- Standard SMILES
CN1C(=O)CN=C(c2ccccc2F)c2cc(Br)ccc21- InChIKey
KMADJPBGARDOAO-UHFFFAOYSA-N- Molecular formula
- C16H12BrFN2O
- Average molar mass
- 347.18 g/mol
- Monoisotopic mass
- 346.0117
Names & identifiers
- Preferred name
- 7-bromo-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-bromo-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
- English name
- 7-bromo-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- Molecular weight
- 0
Names & synonyms
7-Bromo-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one86890-79-1DTXSID101007175RefChem:105876DTXCID301434033CHEMBL4636555SCHEMBL117726397-Bromo-5-(2-fluoro-phenyl)-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one3900-26-3
Database identifiers
- CAS
86890-79-1- PubChem CID
- 135809
- DTXSID
DTXSID101007175- ChEMBL
CHEMBL4636555
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
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Related reactions
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Compound notes
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