N-(8-bromoisoquinolin-5-yl)-N'-(3-fluorobenzyl)urea

HCID 10248799
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Basic information

Standard SMILES
O=C(NCc1cccc(F)c1)Nc1ccc(Br)c2cnccc12
InChIKey
WRARKAKKIVADGP-UHFFFAOYSA-N
Molecular formula
C17H13BrFN3O
Average molar mass
374.2 g/mol
Monoisotopic mass
373.0226

Names & identifiers

Preferred name
N-(8-bromoisoquinolin-5-yl)-N'-(3-fluorobenzyl)urea
IUPAC
1-(8-bromoisoquinolin-5-yl)-3-[(3-fluorophenyl)methyl]urea

Names & synonyms

SCHEMBL4023503WRARKAKKIVADGP-UHFFFAOYSA-NN-(8-bromoisoquinolin-5-yl)-N'-(3-fluorobenzyl)urea

Database identifiers

PubChem CID
10248799

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
54 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
23

Related reactions

4 records
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Compound notes

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