3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide

C14H15F6NO3 — CID 47091557

IUPAC3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1cc(CCC(=O)NCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H15F6NO3/c1-23-11-6-9(2-4-10(11)24-8-14(18,19)20)3-5-12(22)21-7-13(15,16)17/h2,4,6H,3,5,7-8H2,1H3,(H,21,22)
InChIKeyXFPHRFODNIWUDA-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.25
Rot. Bonds7

About 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 47091557) has the molecular formula C14H15F6NO3 and a molecular weight of 359.27 g/mol. Its IUPAC name is 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID47091557
Molecular FormulaC14H15F6NO3
Molecular Weight359.27 g/mol
Exact Mass359.10
IUPAC Name3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1cc(CCC(=O)NCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C14H15F6NO3/c1-23-11-6-9(2-4-10(11)24-8-14(18,19)20)3-5-12(22)21-7-13(15,16)17/h2,4,6H,3,5,7-8H2,1H3,(H,21,22)
InChIKeyXFPHRFODNIWUDA-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 47091604
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanediamide
CID 51131042
(2R)-2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanoic acid
CID 97234320
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492602
1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]cyclopentane-1-carboxylic acid
CID 119176805
ethyl (2R)-2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]propanoate
CID 52507615
N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 60615637
N-(5-amino-2-methylphenyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120568721
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78933804
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119643560
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one;hydrochloride
CID 120659217

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 47091557) is 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide is COc1cc(CCC(=O)NCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XFPHRFODNIWUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO3/c1-23-11-6-9(2-4-10(11)24-8-14(18,19)20)3-5-12(22)21-7-13(15,16)17/h2,4,6H,3,5,7-8H2,1H3,(H,21,22).
What are the key properties of 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide?
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 359.27 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 47091557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).