1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone

C13H16INO — CID 116587269

IUPAC1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone
SMILESNC1CCC(C(=O)Cc2ccc(I)cc2)C1
InChIInChI=1S/C13H16INO/c14-11-4-1-9(2-5-11)7-13(16)10-3-6-12(15)8-10/h1-2,4-5,10,12H,3,6-8,15H2
InChIKeyFKFHTDLBRUHEHD-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.53
Rot. Bonds3

About 1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone

1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone (PubChem CID 116587269) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone
PubChem CID116587269
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC Name1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone
SMILESNC1CCC(C(=O)Cc2ccc(I)cc2)C1
InChIInChI=1S/C13H16INO/c14-11-4-1-9(2-5-11)7-13(16)10-3-6-12(15)8-10/h1-2,4-5,10,12H,3,6-8,15H2
InChIKeyFKFHTDLBRUHEHD-UHFFFAOYSA-N
XLogP2.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
CID 116587341
1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone
CID 116557390
1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone
CID 116587183
1-(3-aminocyclopentyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116587325
1-(1,1-dioxothiolan-3-yl)-2-(4-iodophenyl)ethanone
CID 115336298
1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116587348
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
1-(2-adamantyl)-2-(4-iodophenyl)ethanone
CID 114974203
1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
CID 65409288
1-(4-aminocyclohexyl)-2-(3,4-difluorophenyl)ethanone
CID 116557426

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone (CID 116587269) is 1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone is NC1CCC(C(=O)Cc2ccc(I)cc2)C1.
What is the InChIKey of 1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone?
The InChIKey is FKFHTDLBRUHEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO/c14-11-4-1-9(2-5-11)7-13(16)10-3-6-12(15)8-10/h1-2,4-5,10,12H,3,6-8,15H2.
What are the key properties of 1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone?
1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone has a molecular weight of 329.18 g/mol, XLogP of 2.53, 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-(4-iodophenyl)ethanone is sourced from PubChem (CID 116587269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).