3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-(o-fluorophenoxy)-1-methyl-
Basic information
- CAS
62903-61-1- Standard SMILES
CN1C(=O)CN=C(Oc2ccccc2F)c2cc(Cl)ccc21- InChIKey
DANMUNCMVTVARN-UHFFFAOYSA-N- Molecular formula
- C16H12ClFN2O2
- Average molar mass
- 318.73 g/mol
- Monoisotopic mass
- 318.0571335
Names & identifiers
- Preferred name
- 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-(o-fluorophenoxy)-1-methyl-
- IUPAC
- 7-chloro-5-(2-fluorophenoxy)-1-methyl-3H-1,4-benzodiazepin-2-one
- English name
- 7-Chloro-5-(o-fluorophenoxy)-1-methyl-1H-1,4-benzodiazepin-2(3H)-one
- Molecular formula
- C16H12ClFN2O2
- Molecular weight
- 318.73
Names & synonyms
62903-61-1BRN 06946323H-1,4-BENZODIAZEPIN-2(1H)-ONE, 7-CHLORO-5-(o-FLUOROPHENOXY)-1-METHYL-DTXSID602120867-Chloro-5-(o-fluorophenoxy)-1-methyl-3H-1,4-benzodiazepin-2(1H)-oneRefChem:283034DTXCID601345777-Chloro-5-(2-Fluorophenoxy)-1-Methyl-1H-1,4-Benzodiazepin-2(3H)-OneCHEMBL32770197-Chloro-5-(o-fluorophenoxy)-1-methyl-1H-1,4-benzodiazepin-2(3H)-oneDB-3073267-chloro-5-(2-fluorophenoxy)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Show more names
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenoxy)-1,3-dihydro-1-methyl-
Database identifiers
- CAS
62903-61-1- PubChem CID
- 44193
- DTXSID
DTXSID60212086- ChEMBL
CHEMBL3277019- Nikkaji
- J69.308A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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