2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide

C20H20F4N2O2 — CID 118024323

IUPAC2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21
InChIInChI=1S/C20H20F4N2O2/c1-28-7-6-26-19(27)9-13-2-4-14-15(10-25-11-16(13)14)12-3-5-17(18(21)8-12)20(22,23)24/h3,5,8,10-11,13H,2,4,6-7,9H2,1H3,(H,26,27)
InChIKeySTCNTMGFEQXVRF-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.09
Rot. Bonds6

About 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide

2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 118024323) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide
PubChem CID118024323
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21
InChIInChI=1S/C20H20F4N2O2/c1-28-7-6-26-19(27)9-13-2-4-14-15(10-25-11-16(13)14)12-3-5-17(18(21)8-12)20(22,23)24/h3,5,8,10-11,13H,2,4,6-7,9H2,1H3,(H,26,27)
InChIKeySTCNTMGFEQXVRF-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide (CID 118024323) is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21.
What is the InChIKey of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is STCNTMGFEQXVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-28-7-6-26-19(27)9-13-2-4-14-15(10-25-11-16(13)14)12-3-5-17(18(21)8-12)20(22,23)24/h3,5,8,10-11,13H,2,4,6-7,9H2,1H3,(H,26,27).
What are the key properties of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide?
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 396.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 118024323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).