2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide

C13H13F2NO — CID 94813098

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
SMILESO=C(C[C@@H]1C=CCC1)Nc1cccc(F)c1F
InChIInChI=1S/C13H13F2NO/c14-10-6-3-7-11(13(10)15)16-12(17)8-9-4-1-2-5-9/h1,3-4,6-7,9H,2,5,8H2,(H,16,17)/t9-/m1/s1
InChIKeyHOTYTPNYGYPIHP-SECBINFHSA-N
MW237.25 g/mol
LogP3.26
Rot. Bonds3

About 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide (PubChem CID 94813098) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
PubChem CID94813098
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
SMILESO=C(C[C@@H]1C=CCC1)Nc1cccc(F)c1F
InChIInChI=1S/C13H13F2NO/c14-10-6-3-7-11(13(10)15)16-12(17)8-9-4-1-2-5-9/h1,3-4,6-7,9H,2,5,8H2,(H,16,17)/t9-/m1/s1
InChIKeyHOTYTPNYGYPIHP-SECBINFHSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813097
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839
2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 78807815
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065461
2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 51929140
2-cyclopent-2-en-1-yl-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43600979
2-cyclopent-2-en-1-yl-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 47337033
N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide
CID 47113476
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide
CID 86901395
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9066166
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide (CID 94813098) is 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide is O=C(C[C@@H]1C=CCC1)Nc1cccc(F)c1F.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide?
The InChIKey is HOTYTPNYGYPIHP-SECBINFHSA-N. The full InChI is InChI=1S/C13H13F2NO/c14-10-6-3-7-11(13(10)15)16-12(17)8-9-4-1-2-5-9/h1,3-4,6-7,9H,2,5,8H2,(H,16,17)/t9-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide has a molecular weight of 237.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 94813098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).