N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide

C17H14F6N2O3 — CID 75303570

IUPACN-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCC(NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H14F6N2O3/c1-10(12-4-7-14(24-8-12)27-9-16(18,19)20)25-15(26)11-2-5-13(6-3-11)28-17(21,22)23/h2-8,10H,9H2,1H3,(H,25,26)
InChIKeyCMQXHZODIWWDKZ-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.41
Rot. Bonds6

About N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide

N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 75303570) has the molecular formula C17H14F6N2O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID75303570
Molecular FormulaC17H14F6N2O3
Molecular Weight408.30 g/mol
Exact Mass408.09
IUPAC NameN-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCC(NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H14F6N2O3/c1-10(12-4-7-14(24-8-12)27-9-16(18,19)20)25-15(26)11-2-5-13(6-3-11)28-17(21,22)23/h2-8,10H,9H2,1H3,(H,25,26)
InChIKeyCMQXHZODIWWDKZ-UHFFFAOYSA-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

N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
2-bromo-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87426946
2-ethyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-6-carboxamide
CID 142764995
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304
3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 174699847
2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide
CID 118497754
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
2-(2-oxopentyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 158848716
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 149045512
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpyridine-4-carboxamide
CID 174687500
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2-benzoxazole-3-carboxamide
CID 67511565

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide (CID 75303570) is N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide is CC(NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is CMQXHZODIWWDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O3/c1-10(12-4-7-14(24-8-12)27-9-16(18,19)20)25-15(26)11-2-5-13(6-3-11)28-17(21,22)23/h2-8,10H,9H2,1H3,(H,25,26).
What are the key properties of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
N-[1-[6-(2,2,2-trifluoroethoxy)-3-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-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 75303570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).