2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

C16H19F2NO2 — CID 78808475

IUPAC2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CC1C=CCC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2NO2/c17-16(18)21-14-7-5-12(6-8-14)9-10-19-15(20)11-13-3-1-2-4-13/h1,3,5-8,13,16H,2,4,9-11H2,(H,19,20)
InChIKeyPSWUCYCQLZGPDL-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.30
Rot. Bonds7

About 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 78808475) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
PubChem CID78808475
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CC1C=CCC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2NO2/c17-16(18)21-14-7-5-12(6-8-14)9-10-19-15(20)11-13-3-1-2-4-13/h1,3,5-8,13,16H,2,4,9-11H2,(H,19,20)
InChIKeyPSWUCYCQLZGPDL-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.30
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

2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066189
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937949
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8906875
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911233
2-[cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100783
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (CID 78808475) is 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is O=C(CC1C=CCC1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is PSWUCYCQLZGPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c17-16(18)21-14-7-5-12(6-8-14)9-10-19-15(20)11-13-3-1-2-4-13/h1,3,5-8,13,16H,2,4,9-11H2,(H,19,20).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 295.33 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 78808475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).