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

C13H15ClFNO — CID 107890100

IUPAC1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
SMILESNC1CCCC1C(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFNO/c14-10-5-4-8(6-11(10)15)7-13(17)9-2-1-3-12(9)16/h4-6,9,12H,1-3,7,16H2
InChIKeyLBJOSWOZTAPZCD-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.72
Rot. Bonds3

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

1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone (PubChem CID 107890100) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
PubChem CID107890100
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
SMILESNC1CCCC1C(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFNO/c14-10-5-4-8(6-11(10)15)7-13(17)9-2-1-3-12(9)16/h4-6,9,12H,1-3,7,16H2
InChIKeyLBJOSWOZTAPZCD-UHFFFAOYSA-N
XLogP2.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminocyclopentyl)-2-(2,5-dichlorophenyl)ethanone
CID 116580230
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
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-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921
1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
2-(4-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 107890629
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 107890896

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone?
The IUPAC name of 1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone (CID 107890100) is 1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone is NC1CCCC1C(=O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone?
The InChIKey is LBJOSWOZTAPZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-10-5-4-8(6-11(10)15)7-13(17)9-2-1-3-12(9)16/h4-6,9,12H,1-3,7,16H2.
What are the key properties of 1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone?
1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone has a molecular weight of 255.72 g/mol, XLogP of 2.72, 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-(4-chloro-3-fluorophenyl)ethanone is sourced from PubChem (CID 107890100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).