N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane

C17H23F3N2O — CID 142831769

IUPACN-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane
SMILESCC.CC.O=C(NCC1=c2ccncc2=CC=CC1)C(F)(F)F
InChIInChI=1S/C13H11F3N2O.2C2H6/c14-13(15,16)12(19)18-8-10-4-2-1-3-9-7-17-6-5-11(9)10;2*1-2/h1-3,5-7H,4,8H2,(H,18,19);2*1-2H3
InChIKeyGCWFTOCGALUKLU-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.70
Rot. Bonds2

About N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane

N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane (PubChem CID 142831769) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane.

Molecular Properties

Compound NameN-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane
PubChem CID142831769
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane
SMILESCC.CC.O=C(NCC1=c2ccncc2=CC=CC1)C(F)(F)F
InChIInChI=1S/C13H11F3N2O.2C2H6/c14-13(15,16)12(19)18-8-10-4-2-1-3-9-7-17-6-5-11(9)10;2*1-2/h1-3,5-7H,4,8H2,(H,18,19);2*1-2H3
InChIKeyGCWFTOCGALUKLU-UHFFFAOYSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane?
The IUPAC name of N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane (CID 142831769) is N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane.
What is the SMILES notation for N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane?
The canonical SMILES for N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane is CC.CC.O=C(NCC1=c2ccncc2=CC=CC1)C(F)(F)F.
What is the InChIKey of N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane?
The InChIKey is GCWFTOCGALUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O.2C2H6/c14-13(15,16)12(19)18-8-10-4-2-1-3-9-7-17-6-5-11(9)10;2*1-2/h1-3,5-7H,4,8H2,(H,18,19);2*1-2H3.
What are the key properties of N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane?
N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane has a molecular weight of 328.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6H-cyclohepta[c]pyridin-5-ylmethyl)-2,2,2-trifluoroacetamide;ethane is sourced from PubChem (CID 142831769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).