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

C20H20F4N2O — CID 118024748

IUPACN-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-N-methylacetamide
SMILESCCN(C)C(=O)CC1CCc2cncc(-c3ccc(C(F)(F)F)cc3F)c21
InChIInChI=1S/C20H20F4N2O/c1-3-26(2)18(27)8-12-4-5-13-10-25-11-16(19(12)13)15-7-6-14(9-17(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyTUXMJNRBRICPNR-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.80
Rot. Bonds4

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

N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-N-methylacetamide (PubChem CID 118024748) 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-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-N-methylacetamide
PubChem CID118024748
Molecular FormulaC20H20F4N2O
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC NameN-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-N-methylacetamide
SMILESCCN(C)C(=O)CC1CCc2cncc(-c3ccc(C(F)(F)F)cc3F)c21
InChIInChI=1S/C20H20F4N2O/c1-3-26(2)18(27)8-12-4-5-13-10-25-11-16(19(12)13)15-7-6-14(9-17(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyTUXMJNRBRICPNR-UHFFFAOYSA-N
XLogP4.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-5-yl]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-N-methylacetamide (CID 118024748) is N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-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-5-yl]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-N-methylacetamide is CCN(C)C(=O)CC1CCc2cncc(-c3ccc(C(F)(F)F)cc3F)c21.
What is the InChIKey of N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-N-methylacetamide?
The InChIKey is TUXMJNRBRICPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O/c1-3-26(2)18(27)8-12-4-5-13-10-25-11-16(19(12)13)15-7-6-14(9-17(15)21)20(22,23)24/h6-7,9-12H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-N-methylacetamide?
N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-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-5-yl]-N-methylacetamide is sourced from PubChem (CID 118024748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).