N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide

C16H13F3N2O2 — CID 155344522

IUPACN-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)c(Oc2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3N2O2/c1-3-15(22)21-12-5-4-10(2)14(7-12)23-13-6-11(8-20-9-13)16(17,18)19/h3-9H,1H2,2H3,(H,21,22)
InChIKeyDIAAWDGZLOZWLA-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.33
Rot. Bonds4

About N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide

N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide (PubChem CID 155344522) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide
PubChem CID155344522
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)c(Oc2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3N2O2/c1-3-15(22)21-12-5-4-10(2)14(7-12)23-13-6-11(8-20-9-13)16(17,18)19/h3-9H,1H2,2H3,(H,21,22)
InChIKeyDIAAWDGZLOZWLA-UHFFFAOYSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide?
The IUPAC name of N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide (CID 155344522) is N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C)c(Oc2cncc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide?
The InChIKey is DIAAWDGZLOZWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-3-15(22)21-12-5-4-10(2)14(7-12)23-13-6-11(8-20-9-13)16(17,18)19/h3-9H,1H2,2H3,(H,21,22).
What are the key properties of N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide?
N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide has a molecular weight of 322.29 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]prop-2-enamide is sourced from PubChem (CID 155344522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).