1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone

C13H13ClFNO — CID 116584926

IUPAC1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone
SMILESNC1C=CC(C(=O)Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H13ClFNO/c14-12-7-10(15)3-1-8(12)6-13(17)9-2-4-11(16)5-9/h1-4,7,9,11H,5-6,16H2
InChIKeyKLNVEENAQINBQH-UHFFFAOYSA-N
MW253.70 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone

1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone (PubChem CID 116584926) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone
PubChem CID116584926
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone
SMILESNC1C=CC(C(=O)Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H13ClFNO/c14-12-7-10(15)3-1-8(12)6-13(17)9-2-4-11(16)5-9/h1-4,7,9,11H,5-6,16H2
InChIKeyKLNVEENAQINBQH-UHFFFAOYSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone
CID 116584834
(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone
CID 105396498
1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921
2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114967227
1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
CID 116584924
1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584628
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 136555273
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545
2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350801
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone (CID 116584926) is 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone is NC1C=CC(C(=O)Cc2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone?
The InChIKey is KLNVEENAQINBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c14-12-7-10(15)3-1-8(12)6-13(17)9-2-4-11(16)5-9/h1-4,7,9,11H,5-6,16H2.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone?
1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone has a molecular weight of 253.70 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone is sourced from PubChem (CID 116584926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).