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

C18H17F3N2O2 — CID 71811488

IUPACN-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide
SMILESCNC(=O)COC1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21
InChIInChI=1S/C18H17F3N2O2/c1-22-17(24)10-25-16-7-6-13-14(8-23-9-15(13)16)11-2-4-12(5-3-11)18(19,20)21/h2-5,8-9,16H,6-7,10H2,1H3,(H,22,24)
InChIKeyKSCFWGSIOOWTPW-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.52
Rot. Bonds4

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

N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide (PubChem CID 71811488) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide
PubChem CID71811488
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide
SMILESCNC(=O)COC1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21
InChIInChI=1S/C18H17F3N2O2/c1-22-17(24)10-25-16-7-6-13-14(8-23-9-15(13)16)11-2-4-12(5-3-11)18(19,20)21/h2-5,8-9,16H,6-7,10H2,1H3,(H,22,24)
InChIKeyKSCFWGSIOOWTPW-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide?
The IUPAC name of N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide (CID 71811488) is N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide.
What is the SMILES notation for N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide?
The canonical SMILES for N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide is CNC(=O)COC1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21.
What is the InChIKey of N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide?
The InChIKey is KSCFWGSIOOWTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-22-17(24)10-25-16-7-6-13-14(8-23-9-15(13)16)11-2-4-12(5-3-11)18(19,20)21/h2-5,8-9,16H,6-7,10H2,1H3,(H,22,24).
What are the key properties of N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide?
N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide has a molecular weight of 350.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide is sourced from PubChem (CID 71811488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).