2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone

C13H15ClFNO — CID 105396478

IUPAC2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
SMILESNC1(CC(=O)c2cc(F)ccc2Cl)CCCC1
InChIInChI=1S/C13H15ClFNO/c14-11-4-3-9(15)7-10(11)12(17)8-13(16)5-1-2-6-13/h3-4,7H,1-2,5-6,8,16H2
InChIKeyBNRRSWBKHSANLI-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.32
Rot. Bonds3

About 2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone

2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone (PubChem CID 105396478) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
PubChem CID105396478
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
SMILESNC1(CC(=O)c2cc(F)ccc2Cl)CCCC1
InChIInChI=1S/C13H15ClFNO/c14-11-4-3-9(15)7-10(11)12(17)8-13(16)5-1-2-6-13/h3-4,7H,1-2,5-6,8,16H2
InChIKeyBNRRSWBKHSANLI-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
CID 116591215
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
(2-chloro-5-fluorophenyl)-(1-hydroxycyclopentyl)methanone
CID 103447915
(2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone
CID 103449806
2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
CID 64677158
2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623
2-(1-aminocyclopentyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116578661
5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
CID 105396458
2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106647185
1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
CID 116591321
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone (CID 105396478) is 2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone is NC1(CC(=O)c2cc(F)ccc2Cl)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone?
The InChIKey is BNRRSWBKHSANLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-11-4-3-9(15)7-10(11)12(17)8-13(16)5-1-2-6-13/h3-4,7H,1-2,5-6,8,16H2.
What are the key properties of 2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone?
2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone has a molecular weight of 255.72 g/mol, XLogP of 3.32, 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-(2-chloro-5-fluorophenyl)ethanone is sourced from PubChem (CID 105396478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).