1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone

C13H15BrFNO — CID 116587183

IUPAC1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone
SMILESNC1CCC(C(=O)Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C13H15BrFNO/c14-11-5-8(1-4-12(11)15)6-13(17)9-2-3-10(16)7-9/h1,4-5,9-10H,2-3,6-7,16H2
InChIKeyJHHNFNVWPFVJCU-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.83
Rot. Bonds3

About 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone

1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone (PubChem CID 116587183) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone
PubChem CID116587183
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone
SMILESNC1CCC(C(=O)Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C13H15BrFNO/c14-11-5-8(1-4-12(11)15)6-13(17)9-2-3-10(16)7-9/h1,4-5,9-10H,2-3,6-7,16H2
InChIKeyJHHNFNVWPFVJCU-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminocyclopentyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116587325
1-(4-aminocyclohexyl)-2-(3,4-difluorophenyl)ethanone
CID 116557426
1-(3-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 114166852
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114964753
1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone
CID 116587269
1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116587348
3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119742372
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
CID 116587341
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
1-(3-bromo-4-fluorophenyl)-3-(thian-4-yl)propan-2-one
CID 105083961
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
1-(3-bromo-4-fluorophenyl)but-3-en-2-one
CID 103453521

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone (CID 116587183) is 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone is NC1CCC(C(=O)Cc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone?
The InChIKey is JHHNFNVWPFVJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c14-11-5-8(1-4-12(11)15)6-13(17)9-2-3-10(16)7-9/h1,4-5,9-10H,2-3,6-7,16H2.
What are the key properties of 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone?
1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone has a molecular weight of 300.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone is sourced from PubChem (CID 116587183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).