N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide

C20H18F6N2O2 — CID 140682543

IUPACN-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESC[C@@H](c1ccc(OCC(F)(F)F)cn1)c1cc(C(F)(F)F)ccc1NC(=O)C1CC1
InChIInChI=1S/C20H18F6N2O2/c1-11(16-7-5-14(9-27-16)30-10-19(21,22)23)15-8-13(20(24,25)26)4-6-17(15)28-18(29)12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H,28,29)/t11-/m1/s1
InChIKeyYSPKNOKCNRLGAA-LLVKDONJSA-N
MW432.36 g/mol
LogP5.54
Rot. Bonds6

About N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide

N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide (PubChem CID 140682543) has the molecular formula C20H18F6N2O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide
PubChem CID140682543
Molecular FormulaC20H18F6N2O2
Molecular Weight432.36 g/mol
Exact Mass432.13
IUPAC NameN-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESC[C@@H](c1ccc(OCC(F)(F)F)cn1)c1cc(C(F)(F)F)ccc1NC(=O)C1CC1
InChIInChI=1S/C20H18F6N2O2/c1-11(16-7-5-14(9-27-16)30-10-19(21,22)23)15-8-13(20(24,25)26)4-6-17(15)28-18(29)12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H,28,29)/t11-/m1/s1
InChIKeyYSPKNOKCNRLGAA-LLVKDONJSA-N
XLogP5.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 87341437
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
CID 87342000
1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55336924
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
4-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673647
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
(4S)-1,1-difluoro-1-(4-prop-1-en-2-ylphenyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255235
[(1S)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]-1-[4-(trifluoromethyl)phenyl]propyl]carbamic acid
CID 118286635

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide (CID 140682543) is N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide is C[C@@H](c1ccc(OCC(F)(F)F)cn1)c1cc(C(F)(F)F)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The InChIKey is YSPKNOKCNRLGAA-LLVKDONJSA-N. The full InChI is InChI=1S/C20H18F6N2O2/c1-11(16-7-5-14(9-27-16)30-10-19(21,22)23)15-8-13(20(24,25)26)4-6-17(15)28-18(29)12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H,28,29)/t11-/m1/s1.
What are the key properties of N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide has a molecular weight of 432.36 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 140682543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).