3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide

C12H10F3NO2 — CID 171323930

IUPAC3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C12H10F3NO2/c13-8-3-4-9(11(15)10(8)14)16-12(18)6-1-2-7(17)5-6/h3-4,6H,1-2,5H2,(H,16,18)
InChIKeyRYOWIQHEQSITPX-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.41
Rot. Bonds2

About 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide

3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide (PubChem CID 171323930) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide
PubChem CID171323930
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C12H10F3NO2/c13-8-3-4-9(11(15)10(8)14)16-12(18)6-1-2-7(17)5-6/h3-4,6H,1-2,5H2,(H,16,18)
InChIKeyRYOWIQHEQSITPX-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200893
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
CID 129348991
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide
CID 110865134
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
CID 113008926
4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
CID 20629063
N-(2,3,4-trifluorophenyl)-1,3,5-trithiane-2-carboxamide
CID 716822
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
1-(2,5-dichlorophenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358144
1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109146735
N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide
CID 108892600

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide (CID 171323930) is 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide is O=C1CCC(C(=O)Nc2ccc(F)c(F)c2F)C1.
What is the InChIKey of 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is RYOWIQHEQSITPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-8-3-4-9(11(15)10(8)14)16-12(18)6-1-2-7(17)5-6/h3-4,6H,1-2,5H2,(H,16,18).
What are the key properties of 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide?
3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 257.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 171323930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).