N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C21H23F3N2O3 — CID 67289804

IUPACN-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCC2(C)CC2)cn1
InChIInChI=1S/C21H23F3N2O3/c1-14(18-8-7-17(11-25-18)29-13-20(2)9-10-20)26-19(27)12-28-16-5-3-15(4-6-16)21(22,23)24/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,26,27)
InChIKeyZIVUFZOGWBYCGD-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.54
Rot. Bonds8

About N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 67289804) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID67289804
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC NameN-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCC2(C)CC2)cn1
InChIInChI=1S/C21H23F3N2O3/c1-14(18-8-7-17(11-25-18)29-13-20(2)9-10-20)26-19(27)12-28-16-5-3-15(4-6-16)21(22,23)24/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,26,27)
InChIKeyZIVUFZOGWBYCGD-UHFFFAOYSA-N
XLogP4.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-methyl-N-[(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 67290425
2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
2-(3,5-dimethylphenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290853
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]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 87342477
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
[(1S)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]-1-[4-(trifluoromethyl)phenyl]propyl]carbamic acid
CID 118286635
(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine
CID 67289682
(2R)-3-methyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butanoic acid
CID 119368130
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51951220

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 67289804) is N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is CC(NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(OCC2(C)CC2)cn1.
What is the InChIKey of N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ZIVUFZOGWBYCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c1-14(18-8-7-17(11-25-18)29-13-20(2)9-10-20)26-19(27)12-28-16-5-3-15(4-6-16)21(22,23)24/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,26,27).
What are the key properties of N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 408.42 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 67289804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).