Basic information
- CAS
111536-74-4- Standard SMILES
CC1CC(c2ccc(F)cc2)=Nc2ccccc2N1- InChIKey
AZJXHBFVZOINMS-UHFFFAOYSA-N- Molecular formula
- C16H15FN2
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.12192665
Names & identifiers
- Preferred name
- 1H-1,5-Benzodiazepine, 4-(4-fluorophenyl)-2,3-dihydro-2-methyl-
- IUPAC
- 4-(4-fluorophenyl)-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine
Names & synonyms
111536-74-41H-1,5-Benzodiazepine, 4-(4-fluorophenyl)-2,3-dihydro-2-methyl-DTXSID60341961RefChem:237179DTXCID502930414-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine4-(4-Fluorophenyl)-2,3-dihydro-2-methyl-1H-1,5-benzodiazepineOprea1_371629AZJXHBFVZOINMS-UHFFFAOYSA-NAN-651/144050084-(4-Fluorophenyl)-2,3-dihydro-2-methyl-(1H)1,5-benzodiazepine4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine #
Database identifiers
- CAS
111536-74-4- PubChem CID
- 577312
- DTXSID
DTXSID60341961
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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