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

C16H18F3NO2 — CID 51938037

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO2/c1-11(20-15(21)10-12-4-2-3-5-12)13-6-8-14(9-7-13)22-16(17,18)19/h2,4,6-9,11-12H,3,5,10H2,1H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyDTTITSWZQKFETK-VXGBXAGGSA-N
MW313.32 g/mol
LogP4.12
Rot. Bonds5

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

2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 51938037) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID51938037
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO2/c1-11(20-15(21)10-12-4-2-3-5-12)13-6-8-14(9-7-13)22-16(17,18)19/h2,4,6-9,11-12H,3,5,10H2,1H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyDTTITSWZQKFETK-VXGBXAGGSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 54.12
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-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 30906754
N-[1-(4-cyanophenyl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 47161802
2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611684
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065896
2-cyclopent-2-en-1-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008759
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 52516208
2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 52516209
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 39271822

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 51938037) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is DTTITSWZQKFETK-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-11(20-15(21)10-12-4-2-3-5-12)13-6-8-14(9-7-13)22-16(17,18)19/h2,4,6-9,11-12H,3,5,10H2,1H3,(H,20,21)/t11-,12-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 313.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 51938037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).