1-(4-amino-3-bromophenyl)-3-cyclobutylurea

C11H14BrN3O — CID 116653685

IUPAC1-(4-amino-3-bromophenyl)-3-cyclobutylurea
SMILESNc1ccc(NC(=O)NC2CCC2)cc1Br
InChIInChI=1S/C11H14BrN3O/c12-9-6-8(4-5-10(9)13)15-11(16)14-7-2-1-3-7/h4-7H,1-3,13H2,(H2,14,15,16)
InChIKeyLJCNSBWQQLDHHK-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.71
Rot. Bonds2

About 1-(4-amino-3-bromophenyl)-3-cyclobutylurea

1-(4-amino-3-bromophenyl)-3-cyclobutylurea (PubChem CID 116653685) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(4-amino-3-bromophenyl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(4-amino-3-bromophenyl)-3-cyclobutylurea
PubChem CID116653685
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(4-amino-3-bromophenyl)-3-cyclobutylurea
SMILESNc1ccc(NC(=O)NC2CCC2)cc1Br
InChIInChI=1S/C11H14BrN3O/c12-9-6-8(4-5-10(9)13)15-11(16)14-7-2-1-3-7/h4-7H,1-3,13H2,(H2,14,15,16)
InChIKeyLJCNSBWQQLDHHK-UHFFFAOYSA-N
XLogP2.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.71
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-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
N-(4-amino-3-bromophenyl)cycloheptanecarboxamide
CID 82861556
N-(4-amino-3-bromophenyl)cyclohexanecarboxamide
CID 82861844
1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
CID 130682535
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
1-(4-bromo-3-nitrophenyl)-3-cyclohexylurea
CID 115766145
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
CID 115575186
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-bromophenyl)-3-cyclobutylurea?
The IUPAC name of 1-(4-amino-3-bromophenyl)-3-cyclobutylurea (CID 116653685) is 1-(4-amino-3-bromophenyl)-3-cyclobutylurea.
What is the SMILES notation for 1-(4-amino-3-bromophenyl)-3-cyclobutylurea?
The canonical SMILES for 1-(4-amino-3-bromophenyl)-3-cyclobutylurea is Nc1ccc(NC(=O)NC2CCC2)cc1Br.
What is the InChIKey of 1-(4-amino-3-bromophenyl)-3-cyclobutylurea?
The InChIKey is LJCNSBWQQLDHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-9-6-8(4-5-10(9)13)15-11(16)14-7-2-1-3-7/h4-7H,1-3,13H2,(H2,14,15,16).
What are the key properties of 1-(4-amino-3-bromophenyl)-3-cyclobutylurea?
1-(4-amino-3-bromophenyl)-3-cyclobutylurea has a molecular weight of 284.16 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-bromophenyl)-3-cyclobutylurea is sourced from PubChem (CID 116653685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).