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

C18H17F3N2O — CID 71811647

IUPACN-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
SMILESCCC(=O)NC1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21
InChIInChI=1S/C18H17F3N2O/c1-2-17(24)23-16-8-7-13-14(9-22-10-15(13)16)11-3-5-12(6-4-11)18(19,20)21/h3-6,9-10,16H,2,7-8H2,1H3,(H,23,24)
InChIKeyNHOUYSJGRILLTC-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.28
Rot. Bonds3

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

N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide (PubChem CID 71811647) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
PubChem CID71811647
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC NameN-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide
SMILESCCC(=O)NC1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21
InChIInChI=1S/C18H17F3N2O/c1-2-17(24)23-16-8-7-13-14(9-22-10-15(13)16)11-3-5-12(6-4-11)18(19,20)21/h3-6,9-10,16H,2,7-8H2,1H3,(H,23,24)
InChIKeyNHOUYSJGRILLTC-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The IUPAC name of N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide (CID 71811647) is N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide.
What is the SMILES notation for N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The canonical SMILES for N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide is CCC(=O)NC1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21.
What is the InChIKey of N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
The InChIKey is NHOUYSJGRILLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-2-17(24)23-16-8-7-13-14(9-22-10-15(13)16)11-3-5-12(6-4-11)18(19,20)21/h3-6,9-10,16H,2,7-8H2,1H3,(H,23,24).
What are the key properties of N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide?
N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide has a molecular weight of 334.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]propanamide is sourced from PubChem (CID 71811647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).