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

C18H16F6N2O3 — CID 87342094

IUPACN-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide
SMILESCc1ccc(OCC(F)(F)F)c([C@@H](C)NC(=O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C18H16F6N2O3/c1-10-6-7-14(28-9-17(19,20)21)15(25-10)11(2)26-16(27)12-4-3-5-13(8-12)29-18(22,23)24/h3-8,11H,9H2,1-2H3,(H,26,27)/t11-/m1/s1
InChIKeyAKWQUPFVGHKTCU-LLVKDONJSA-N
MW422.33 g/mol
LogP4.72
Rot. Bonds6

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

N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide (PubChem CID 87342094) has the molecular formula C18H16F6N2O3 and a molecular weight of 422.33 g/mol. Its IUPAC name is N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide
PubChem CID87342094
Molecular FormulaC18H16F6N2O3
Molecular Weight422.33 g/mol
Exact Mass422.11
IUPAC NameN-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide
SMILESCc1ccc(OCC(F)(F)F)c([C@@H](C)NC(=O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C18H16F6N2O3/c1-10-6-7-14(28-9-17(19,20)21)15(25-10)11(2)26-16(27)12-4-3-5-13(8-12)29-18(22,23)24/h3-8,11H,9H2,1-2H3,(H,26,27)/t11-/m1/s1
InChIKeyAKWQUPFVGHKTCU-LLVKDONJSA-N
XLogP4.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120526943
(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19469039
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 87342477
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 147481344
3-pyridin-2-yloxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290691
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 174811246

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide (CID 87342094) is N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide is Cc1ccc(OCC(F)(F)F)c([C@@H](C)NC(=O)c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is AKWQUPFVGHKTCU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16F6N2O3/c1-10-6-7-14(28-9-17(19,20)21)15(25-10)11(2)26-16(27)12-4-3-5-13(8-12)29-18(22,23)24/h3-8,11H,9H2,1-2H3,(H,26,27)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide?
N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 422.33 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 87342094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).