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

C20H20F4N2O — CID 118024319

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

N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide (PubChem CID 118024319) has the molecular formula C20H20F4N2O and a molecular weight of 380.39 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide
• PubChem CID: 118024319
• Molecular Formula: C20H20F4N2O
• Molecular Weight: 380.39 g/mol
• Exact Mass: 380.15
• IUPAC Name: N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide
• SMILES: CCN(C)C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21
• InChI: InChI=1S/C20H20F4N2O/c1-3-26(2)19(27)8-12-4-6-14-16(12)10-25-11-17(14)15-7-5-13(9-18(15)21)20(22,23)24/h5,7,9-12H,3-4,6,8H2,1-2H3
• InChIKey: PDJBESLSPDPQEE-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 33.20 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.39
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?

The IUPAC name of N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide (CID 118024319) is N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide.

What is the SMILES notation for N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?

The canonical SMILES for N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide is CCN(C)C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21.

What is the InChIKey of N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?

The InChIKey is PDJBESLSPDPQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O/c1-3-26(2)19(27)8-12-4-6-14-16(12)10-25-11-17(14)15-7-5-13(9-18(15)21)20(22,23)24/h5,7,9-12H,3-4,6,8H2,1-2H3.

What are the key properties of N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?

N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide has a molecular weight of 380.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide is sourced from PubChem (CID 118024319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).