Basic information
- Standard SMILES
O=C1CN(C(=O)c2ccc(Cl)cc2)Cc2ccccc2N1- InChIKey
VTXGCQMVXZSHIR-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O2
- Average molar mass
- 300.74 g/mol
- Monoisotopic mass
- 300.0665554
Names & identifiers
- Preferred name
- 4-(4-Chlorobenzoyl)-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on
- IUPAC
- 4-(4-chlorobenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
SCHEMBL6774901VTXGCQMVXZSHIR-UHFFFAOYSA-NAKOS0147012644-(4-chlorobenzoyl)-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on4-(4-chlorobenzoyl)-1,3,4,5-tetrahydrobenzo-[e][1,4]diazepin-2-on
Database identifiers
- PubChem CID
- 22632554
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
17 records
Compound notes
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