2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide

C19H16F6N2O3 — CID 58243710

IUPAC2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESCC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C19H16F6N2O3/c1-17(2,30-12-5-3-11(4-6-12)18(20,21)22)16(29)27-10-15(28)13-9-26-8-7-14(13)19(23,24)25/h3-9H,10H2,1-2H3,(H,27,29)
InChIKeyVUTIYPLQBOLZSM-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.28
Rot. Bonds6

About 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide

2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide (PubChem CID 58243710) has the molecular formula C19H16F6N2O3 and a molecular weight of 434.34 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
PubChem CID58243710
Molecular FormulaC19H16F6N2O3
Molecular Weight434.34 g/mol
Exact Mass434.11
IUPAC Name2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESCC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C19H16F6N2O3/c1-17(2,30-12-5-3-11(4-6-12)18(20,21)22)16(29)27-10-15(28)13-9-26-8-7-14(13)19(23,24)25/h3-9H,10H2,1-2H3,(H,27,29)
InChIKeyVUTIYPLQBOLZSM-UHFFFAOYSA-N
XLogP4.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide (CID 58243710) is 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide is CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is VUTIYPLQBOLZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O3/c1-17(2,30-12-5-3-11(4-6-12)18(20,21)22)16(29)27-10-15(28)13-9-26-8-7-14(13)19(23,24)25/h3-9H,10H2,1-2H3,(H,27,29).
What are the key properties of 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide?
2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 434.34 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 58243710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).