N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide

C18H19F3N2O3 — CID 70543191

IUPACN-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
SMILESCCNC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)c(C)n2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-4-22-17(24)12(3)25-13-5-7-14(8-6-13)26-16-10-9-15(11(2)23-16)18(19,20)21/h5-10,12H,4H2,1-3H3,(H,22,24)
InChIKeyWJVZMDJXZJLFAS-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.10
Rot. Bonds6

About N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide

N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide (PubChem CID 70543191) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
PubChem CID70543191
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC NameN-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
SMILESCCNC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)c(C)n2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-4-22-17(24)12(3)25-13-5-7-14(8-6-13)26-16-10-9-15(11(2)23-16)18(19,20)21/h5-10,12H,4H2,1-3H3,(H,22,24)
InChIKeyWJVZMDJXZJLFAS-UHFFFAOYSA-N
XLogP4.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide?
The IUPAC name of N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide (CID 70543191) is N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide.
What is the SMILES notation for N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide?
The canonical SMILES for N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide is CCNC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)c(C)n2)cc1.
What is the InChIKey of N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide?
The InChIKey is WJVZMDJXZJLFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-4-22-17(24)12(3)25-13-5-7-14(8-6-13)26-16-10-9-15(11(2)23-16)18(19,20)21/h5-10,12H,4H2,1-3H3,(H,22,24).
What are the key properties of N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide?
N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide has a molecular weight of 368.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide is sourced from PubChem (CID 70543191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).