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1-(2-Amino-4-fluorophenyl)-3-heptylurea (HCID 23370076)|Huagongshe
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Compound
1-(2-Amino-4-fluorophenyl)-3-heptylurea
HCID
23370076
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
CCCCCCCNC(=O)Nc1ccc(F)cc1N
InChIKey
BDDOHPXOIAWLCF-UHFFFAOYSA-N
Molecular formula
C14H22FN3O
Average molar mass
267.34 g/mol
Names & identifiers
Preferred name
1-(2-Amino-4-fluorophenyl)-3-heptylurea
IUPAC
1-(2-amino-4-fluorophenyl)-3-heptylurea
Names & synonyms
SCHEMBL8777922
BDDOHPXOIAWLCF-UHFFFAOYSA-N
1-(2-amino-4-fluorophenyl)-3-heptylurea
Database identifiers
PubChem CID
23370076
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
67.2 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
19
Formal charge
0
Complexity
263
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
946279
As product
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1901056
As product
uspto-grants-1996_11
Compound notes
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