1-(4-amino-2-bromophenyl)-2-cyclobutylethanone

C12H14BrNO — CID 103167069

IUPAC1-(4-amino-2-bromophenyl)-2-cyclobutylethanone
SMILESNc1ccc(C(=O)CC2CCC2)c(Br)c1
InChIInChI=1S/C12H14BrNO/c13-11-7-9(14)4-5-10(11)12(15)6-8-2-1-3-8/h4-5,7-8H,1-3,6,14H2
InChIKeyRYHXEBYKTVOMCT-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.40
Rot. Bonds3

About 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone

1-(4-amino-2-bromophenyl)-2-cyclobutylethanone (PubChem CID 103167069) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(4-amino-2-bromophenyl)-2-cyclobutylethanone
PubChem CID103167069
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(4-amino-2-bromophenyl)-2-cyclobutylethanone
SMILESNc1ccc(C(=O)CC2CCC2)c(Br)c1
InChIInChI=1S/C12H14BrNO/c13-11-7-9(14)4-5-10(11)12(15)6-8-2-1-3-8/h4-5,7-8H,1-3,6,14H2
InChIKeyRYHXEBYKTVOMCT-UHFFFAOYSA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone?
The IUPAC name of 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone (CID 103167069) is 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone?
The canonical SMILES for 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone is Nc1ccc(C(=O)CC2CCC2)c(Br)c1.
What is the InChIKey of 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone?
The InChIKey is RYHXEBYKTVOMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-11-7-9(14)4-5-10(11)12(15)6-8-2-1-3-8/h4-5,7-8H,1-3,6,14H2.
What are the key properties of 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone?
1-(4-amino-2-bromophenyl)-2-cyclobutylethanone has a molecular weight of 268.15 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-bromophenyl)-2-cyclobutylethanone is sourced from PubChem (CID 103167069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).