2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide

C14H13F2NO3 — CID 18204023

IUPAC2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CC1C=CCC1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C14H13F2NO3/c15-14(16)19-11-6-5-10(8-12(11)20-14)17-13(18)7-9-3-1-2-4-9/h1,3,5-6,8-9H,2,4,7H2,(H,17,18)
InChIKeyJUDUWLHVOWPSHR-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.30
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide

2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (PubChem CID 18204023) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
PubChem CID18204023
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CC1C=CCC1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C14H13F2NO3/c15-14(16)19-11-6-5-10(8-12(11)20-14)17-13(18)7-9-3-1-2-4-9/h1,3,5-6,8-9H,2,4,7H2,(H,17,18)
InChIKeyJUDUWLHVOWPSHR-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61371585
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide
CID 66435503
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
2-(azepan-1-ium-1-yl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 2461345
5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 129467811
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2577705
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556581

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (CID 18204023) is 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is O=C(CC1C=CCC1)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is JUDUWLHVOWPSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3/c15-14(16)19-11-6-5-10(8-12(11)20-14)17-13(18)7-9-3-1-2-4-9/h1,3,5-6,8-9H,2,4,7H2,(H,17,18).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 281.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 18204023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).