(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone

C12H11ClFNO — CID 105396498

IUPAC(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone
SMILESNC1C=CC(C(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H11ClFNO/c13-11-4-2-8(14)6-10(11)12(16)7-1-3-9(15)5-7/h1-4,6-7,9H,5,15H2
InChIKeyJEYSHSNHMGHYHE-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.57
Rot. Bonds2

About (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone

(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone (PubChem CID 105396498) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone
PubChem CID105396498
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone
SMILESNC1C=CC(C(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H11ClFNO/c13-11-4-2-8(14)6-10(11)12(16)7-1-3-9(15)5-7/h1-4,6-7,9H,5,15H2
InChIKeyJEYSHSNHMGHYHE-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.57
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-chloro-4-fluorophenyl)ethanone
CID 116584926
(4-aminocyclopent-2-en-1-yl)-(2,5-dimethylphenyl)methanone
CID 116585032
(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone
CID 116584995
(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 90039264
(2-chloro-5-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 105394244
(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 105396376
1-adamantyl-(2-chloro-5-fluorophenyl)methanone
CID 105394220
2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
CID 159908135
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone
CID 105396403
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone (CID 105396498) is (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone is NC1C=CC(C(=O)c2cc(F)ccc2Cl)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone?
The InChIKey is JEYSHSNHMGHYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-11-4-2-8(14)6-10(11)12(16)7-1-3-9(15)5-7/h1-4,6-7,9H,5,15H2.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone?
(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone has a molecular weight of 239.68 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone is sourced from PubChem (CID 105396498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).