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

HCID 22632525
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Basic information

Standard SMILES
O=C(c1ccc(Cl)cc1)N1CC(=O)N(Cc2ccc(F)cc2)c2ccccc2C1
InChIKey
VIZKJYHWRKIXLB-UHFFFAOYSA-N
Molecular formula
C23H18ClFN2O2
Average molar mass
408.8 g/mol

Names & identifiers

Preferred name
4-(4-Chlorobenzoyl)-1-(4-fluorobenzyl)-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on
IUPAC
4-(4-chlorobenzoyl)-1-[(4-fluorophenyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one

Names & synonyms

SCHEMBL6781222VIZKJYHWRKIXLB-UHFFFAOYSA-N4-(4-chlorobenzoyl)-1-(4-fluorobenzyl)-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on

Database identifiers

PubChem CID
22632525

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
29

Related reactions

2 records
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Compound notes

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