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1-(3-Amino-3-(4-chlorophenyl)propyl)urea

HCID 57750384
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)NCCC(N)c1ccc(Cl)cc1
InChIKey
AJWAKORKRDHODG-UHFFFAOYSA-N
Molecular formula
C10H14ClN3O
Average molar mass
227.69 g/mol

Names & identifiers

Preferred name
1-(3-Amino-3-(4-chlorophenyl)propyl)urea
IUPAC
[3-amino-3-(4-chlorophenyl)propyl]urea

Names & synonyms

SCHEMBL391063AJWAKORKRDHODG-UHFFFAOYSA-N1-(3-amino-3-(4-chlorophenyl)propyl)ureaDB-144055N-[3-amino-3-(4-chlorophenyl)propyl]urea1143535-74-3

Database identifiers

PubChem CID
57750384

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
81.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
205

Related reactions

4 records
New reaction record
HRID 177211 reaction equation
HRID 177211As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 423119 reaction equation
HRID 423119As productuspto-grants-2012_01
HRID 423120 reaction equation
HRID 423120As reactantuspto-grants-2012_01
HRID 2316705 reaction equation
HRID 2316705As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes