N-[(4-bromophenyl)methyl]-N'-(1-chloroisoquinolin-5-yl)urea

HCID 10000490
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Basic information

Standard SMILES
O=C(NCc1ccc(Br)cc1)Nc1cccc2c(Cl)nccc12
InChIKey
CCYCJYOUURQHCR-UHFFFAOYSA-N
Molecular formula
C17H13BrClN3O
Average molar mass
390.7 g/mol

Names & identifiers

Preferred name
N-[(4-bromophenyl)methyl]-N'-(1-chloroisoquinolin-5-yl)urea
IUPAC
1-[(4-bromophenyl)methyl]-3-(1-chloroisoquinolin-5-yl)urea

Names & synonyms

SCHEMBL4022210CCYCJYOUURQHCR-UHFFFAOYSA-NN-[(4-bromophenyl)methyl]-N'-(1-chloroisoquinolin-5-yl)urea

Database identifiers

PubChem CID
10000490

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
54 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
23

Related reactions

5 records
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Compound notes

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