N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide

C17H14F6N2O3 — CID 87340431

IUPACN-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C17H14F6N2O3/c1-10(14-7-6-13(8-24-14)27-9-16(18,19)20)25-15(26)11-2-4-12(5-3-11)28-17(21,22)23/h2-8,10H,9H2,1H3,(H,25,26)/t10-/m0/s1
InChIKeyZITANGBVKHQABT-JTQLQIEISA-N
MW408.30 g/mol
LogP4.41
Rot. Bonds6

About N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide

N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 87340431) has the molecular formula C17H14F6N2O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID87340431
Molecular FormulaC17H14F6N2O3
Molecular Weight408.30 g/mol
Exact Mass408.09
IUPAC NameN-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C17H14F6N2O3/c1-10(14-7-6-13(8-24-14)27-9-16(18,19)20)25-15(26)11-2-4-12(5-3-11)28-17(21,22)23/h2-8,10H,9H2,1H3,(H,25,26)/t10-/m0/s1
InChIKeyZITANGBVKHQABT-JTQLQIEISA-N
XLogP4.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 87342477
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 118497834
2-amino-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 87342561
3-pyridin-2-yloxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290691
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 87341437
2-fluoro-2-(4-prop-1-en-2-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 70312815
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 87342724

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide (CID 87340431) is N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide is C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ZITANGBVKHQABT-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14F6N2O3/c1-10(14-7-6-13(8-24-14)27-9-16(18,19)20)25-15(26)11-2-4-12(5-3-11)28-17(21,22)23/h2-8,10H,9H2,1H3,(H,25,26)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 408.30 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 87340431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).