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

C18H16F4N2O — CID 118024285

IUPAC2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21
InChIInChI=1S/C18H16F4N2O/c1-23-17(25)7-11-2-4-12-13(8-24-9-14(11)12)10-3-5-15(16(19)6-10)18(20,21)22/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,23,25)
InChIKeyBKMMKSXHNJKAPR-UHFFFAOYSA-N
MW352.33 g/mol
LogP4.07
Rot. Bonds3

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

2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide (PubChem CID 118024285) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide
PubChem CID118024285
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21
InChIInChI=1S/C18H16F4N2O/c1-23-17(25)7-11-2-4-12-13(8-24-9-14(11)12)10-3-5-15(16(19)6-10)18(20,21)22/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,23,25)
InChIKeyBKMMKSXHNJKAPR-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-methylacetamide?
The IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide (CID 118024285) is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide is CNC(=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-methylacetamide?
The InChIKey is BKMMKSXHNJKAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O/c1-23-17(25)7-11-2-4-12-13(8-24-9-14(11)12)10-3-5-15(16(19)6-10)18(20,21)22/h3,5-6,8-9,11H,2,4,7H2,1H3,(H,23,25).
What are the key properties of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide has a molecular weight of 352.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 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-methylacetamide is sourced from PubChem (CID 118024285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).