1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone

C13H15Cl2NO — CID 116580230

IUPAC1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone
SMILESNC1CCCC1C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO/c14-9-4-5-11(15)8(6-9)7-13(17)10-2-1-3-12(10)16/h4-6,10,12H,1-3,7,16H2
InChIKeyFQQQJIVRDPVOPU-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone

1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone (PubChem CID 116580230) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone
PubChem CID116580230
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone
SMILESNC1CCCC1C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO/c14-9-4-5-11(15)8(6-9)7-13(17)10-2-1-3-12(10)16/h4-6,10,12H,1-3,7,16H2
InChIKeyFQQQJIVRDPVOPU-UHFFFAOYSA-N
XLogP3.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116579933
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863391
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890100
1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
2-(2,5-dichlorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572598
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
1-(2-aminocyclopentyl)-2-thiophen-3-ylethanone
CID 116580255
1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone (CID 116580230) is 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone is NC1CCCC1C(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone?
The InChIKey is FQQQJIVRDPVOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-9-4-5-11(15)8(6-9)7-13(17)10-2-1-3-12(10)16/h4-6,10,12H,1-3,7,16H2.
What are the key properties of 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone?
1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone has a molecular weight of 272.17 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 116580230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).