N-(4-bromo-3-fluorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea

HCID 10430331
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Basic information

Standard SMILES
Cc1cc2c(NC(=O)NCc3ccc(Br)c(F)c3)cccc2cn1
InChIKey
SRPINNVIVOPRBH-UHFFFAOYSA-N
Molecular formula
C18H15BrFN3O
Average molar mass
388.2 g/mol

Names & identifiers

Preferred name
N-(4-bromo-3-fluorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea
IUPAC
1-[(4-bromo-3-fluorophenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea

Names & synonyms

SCHEMBL4026145SRPINNVIVOPRBH-UHFFFAOYSA-NN-(4-bromo-3-fluorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea

Database identifiers

PubChem CID
10430331

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
54 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
24

Related reactions

4 records
New reaction record

Compound notes

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N-(4-bromo-3-fluorobenzyl)-N'-(3-methyl-5-isoquinolinyl)urea (HCID 10430331)｜Huagongshe