1-(4-amino-2-bromophenyl)-3-cyclohexylurea

C13H18BrN3O — CID 43551414

IUPAC1-(4-amino-2-bromophenyl)-3-cyclohexylurea
SMILESNc1ccc(NC(=O)NC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrN3O/c14-11-8-9(15)6-7-12(11)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H2,16,17,18)
InChIKeyUZAFUKFJEIYMDP-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.49
Rot. Bonds2

About 1-(4-amino-2-bromophenyl)-3-cyclohexylurea

1-(4-amino-2-bromophenyl)-3-cyclohexylurea (PubChem CID 43551414) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(4-amino-2-bromophenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(4-amino-2-bromophenyl)-3-cyclohexylurea
PubChem CID43551414
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(4-amino-2-bromophenyl)-3-cyclohexylurea
SMILESNc1ccc(NC(=O)NC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrN3O/c14-11-8-9(15)6-7-12(11)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H2,16,17,18)
InChIKeyUZAFUKFJEIYMDP-UHFFFAOYSA-N
XLogP3.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-3-(2,4-dibromophenyl)urea
CID 115617878
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
1-(5-amino-2-bromo-4-methylphenyl)-3-cyclohexylurea
CID 104814743
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-(4-amino-2-methylphenyl)-3-cyclopropylurea
CID 62698146
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-cyclopentylurea
CID 171547125

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-bromophenyl)-3-cyclohexylurea?
The IUPAC name of 1-(4-amino-2-bromophenyl)-3-cyclohexylurea (CID 43551414) is 1-(4-amino-2-bromophenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(4-amino-2-bromophenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(4-amino-2-bromophenyl)-3-cyclohexylurea is Nc1ccc(NC(=O)NC2CCCCC2)c(Br)c1.
What is the InChIKey of 1-(4-amino-2-bromophenyl)-3-cyclohexylurea?
The InChIKey is UZAFUKFJEIYMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-11-8-9(15)6-7-12(11)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H2,16,17,18).
What are the key properties of 1-(4-amino-2-bromophenyl)-3-cyclohexylurea?
1-(4-amino-2-bromophenyl)-3-cyclohexylurea has a molecular weight of 312.21 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-bromophenyl)-3-cyclohexylurea is sourced from PubChem (CID 43551414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).