1-(5-amino-2-bromophenyl)-2-cyclopentylethanone

C13H16BrNO — CID 116602873

IUPAC1-(5-amino-2-bromophenyl)-2-cyclopentylethanone
SMILESNc1ccc(Br)c(C(=O)CC2CCCC2)c1
InChIInChI=1S/C13H16BrNO/c14-12-6-5-10(15)8-11(12)13(16)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7,15H2
InChIKeyVRZQGDOSTNMLDA-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.79
Rot. Bonds3

About 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone

1-(5-amino-2-bromophenyl)-2-cyclopentylethanone (PubChem CID 116602873) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(5-amino-2-bromophenyl)-2-cyclopentylethanone
PubChem CID116602873
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(5-amino-2-bromophenyl)-2-cyclopentylethanone
SMILESNc1ccc(Br)c(C(=O)CC2CCCC2)c1
InChIInChI=1S/C13H16BrNO/c14-12-6-5-10(15)8-11(12)13(16)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7,15H2
InChIKeyVRZQGDOSTNMLDA-UHFFFAOYSA-N
XLogP3.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-bromophenyl)-2-cyclobutylethanone
CID 103167069
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
1-(5-amino-2-bromophenyl)but-3-en-1-one
CID 116602737
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032
(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209671
1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
CID 116581446
1-(5-amino-2-bromophenyl)-4,4-dimethylpentan-1-one
CID 116602750
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutylethanone
CID 103162365
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-amino-2-bromophenyl)methanone
CID 82746670
1-(5-amino-2-bromophenyl)-3-methylsulfonylpropan-1-one
CID 116602931
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43344907

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone?
The IUPAC name of 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone (CID 116602873) is 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone.
What is the SMILES notation for 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone?
The canonical SMILES for 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone is Nc1ccc(Br)c(C(=O)CC2CCCC2)c1.
What is the InChIKey of 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone?
The InChIKey is VRZQGDOSTNMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-12-6-5-10(15)8-11(12)13(16)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7,15H2.
What are the key properties of 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone?
1-(5-amino-2-bromophenyl)-2-cyclopentylethanone has a molecular weight of 282.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-bromophenyl)-2-cyclopentylethanone is sourced from PubChem (CID 116602873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).