3-(RS)-Cinnamoylamino-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one

HCID 54377436
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Basic information

Standard SMILES
O=C(C=Cc1ccccc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O
InChIKey
UXNHLBPVNCIBGP-UHFFFAOYSA-N
Molecular formula
C24H18FN3O2
Average molar mass
399.4 g/mol
Monoisotopic mass
399.13830499

Names & identifiers

Preferred name
3-(RS)-Cinnamoylamino-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one
IUPAC
N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-phenylprop-2-enamide

Names & synonyms

SCHEMBL9526320UXNHLBPVNCIBGP-UHFFFAOYSA-N3-(RS)-Cinnamoylamino-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one

Database identifiers

PubChem CID
54377436

Properties

Computed structural properties

XLogP
4
Topological polar surface area
70.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
30

Related reactions

3 records
New reaction record

Compound notes

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