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

C18H16F4N2O — CID 71811609

IUPACN-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
SMILESCCC(=O)NC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21
InChIInChI=1S/C18H16F4N2O/c1-2-17(25)24-16-6-5-11-13(8-23-9-14(11)16)12-4-3-10(7-15(12)19)18(20,21)22/h3-4,7-9,16H,2,5-6H2,1H3,(H,24,25)
InChIKeyDBUUHHKKKNUIPG-UHFFFAOYSA-N
MW352.33 g/mol
LogP4.42
Rot. Bonds3

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

N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide (PubChem CID 71811609) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
PubChem CID71811609
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC NameN-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
SMILESCCC(=O)NC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21
InChIInChI=1S/C18H16F4N2O/c1-2-17(25)24-16-6-5-11-13(8-23-9-14(11)16)12-4-3-10(7-15(12)19)18(20,21)22/h3-4,7-9,16H,2,5-6H2,1H3,(H,24,25)
InChIKeyDBUUHHKKKNUIPG-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The IUPAC name of N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide (CID 71811609) is N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide.
What is the SMILES notation for N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The canonical SMILES for N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide is CCC(=O)NC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21.
What is the InChIKey of N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The InChIKey is DBUUHHKKKNUIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O/c1-2-17(25)24-16-6-5-11-13(8-23-9-14(11)16)12-4-3-10(7-15(12)19)18(20,21)22/h3-4,7-9,16H,2,5-6H2,1H3,(H,24,25).
What are the key properties of N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide has a molecular weight of 352.33 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide is sourced from PubChem (CID 71811609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).