4-(4-Chlorobenzoyl)-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on

HCID 22632554

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

Related reactions

17 records

Compound notes

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