2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone

C13H15BrFNO — CID 106647185

IUPAC2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
SMILESNC1(CC(=O)c2cccc(Br)c2F)CCCC1
InChIInChI=1S/C13H15BrFNO/c14-10-5-3-4-9(12(10)15)11(17)8-13(16)6-1-2-7-13/h3-5H,1-2,6-8,16H2
InChIKeyKILJSGADTKUUFS-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.43
Rot. Bonds3

About 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone

2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone (PubChem CID 106647185) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
PubChem CID106647185
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
SMILESNC1(CC(=O)c2cccc(Br)c2F)CCCC1
InChIInChI=1S/C13H15BrFNO/c14-10-5-3-4-9(12(10)15)11(17)8-13(16)6-1-2-7-13/h3-5H,1-2,6-8,16H2
InChIKeyKILJSGADTKUUFS-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116578791
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829761
3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one
CID 106647112
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide
CID 107599843
3-bromo-N-[1-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 107956670
(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106647512
1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 89480353
2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396478

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone (CID 106647185) is 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone is NC1(CC(=O)c2cccc(Br)c2F)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone?
The InChIKey is KILJSGADTKUUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c14-10-5-3-4-9(12(10)15)11(17)8-13(16)6-1-2-7-13/h3-5H,1-2,6-8,16H2.
What are the key properties of 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone?
2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone has a molecular weight of 300.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone is sourced from PubChem (CID 106647185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).