Benzamide, N-((5-(3-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H-1,,4-benzodiazepin-2-yl)methyl)-, monohydrochloride
Basic information
- CAS
83736-92-9- Standard SMILES
COc1ccc2c(c1)N(C)C(CNC(=O)c1ccccc1)CN=C2c1cccc(F)c1.Cl- InChIKey
GJMHEZQWPAFUGO-UHFFFAOYSA-N- Molecular formula
- C25H25ClFN3O2
- Average molar mass
- 453.9 g/mol
- Monoisotopic mass
- 453.1619329
Names & identifiers
- Preferred name
- Benzamide, N-((5-(3-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H-1,,4-benzodiazepin-2-yl)methyl)-, monohydrochloride
- IUPAC
- N-[[5-(3-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]benzamide;hydrochloride
Names & synonyms
83736-92-9Benzamide, N-((5-(3-fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H-1,,4-benzodiazepin-2-yl)methyl)-, monohydrochlorideRefChem:322050DTXSID601003778N-{[5-(3-Fluorophenyl)-8-methoxy-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}benzenecarboximidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
83736-92-9- PubChem CID
- 3068752
- DTXSID
DTXSID601003778
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 636
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Related reactions
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Compound notes
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