N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide

C19H13F3N2O2 — CID 166924895

IUPACN-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(Oc3ccc(C(F)(F)F)cn3)cccc2c1
InChIInChI=1S/C19H13F3N2O2/c1-2-17(25)24-14-7-8-15-12(10-14)4-3-5-16(15)26-18-9-6-13(11-23-18)19(20,21)22/h2-11H,1H2,(H,24,25)
InChIKeyHXKVPLADIFFTBZ-UHFFFAOYSA-N
MW358.32 g/mol
LogP5.17
Rot. Bonds4

About N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide

N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide (PubChem CID 166924895) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide
PubChem CID166924895
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC NameN-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(Oc3ccc(C(F)(F)F)cn3)cccc2c1
InChIInChI=1S/C19H13F3N2O2/c1-2-17(25)24-14-7-8-15-12(10-14)4-3-5-16(15)26-18-9-6-13(11-23-18)19(20,21)22/h2-11H,1H2,(H,24,25)
InChIKeyHXKVPLADIFFTBZ-UHFFFAOYSA-N
XLogP5.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 55.17
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-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide?
The IUPAC name of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide (CID 166924895) is N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(Oc3ccc(C(F)(F)F)cn3)cccc2c1.
What is the InChIKey of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide?
The InChIKey is HXKVPLADIFFTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c1-2-17(25)24-14-7-8-15-12(10-14)4-3-5-16(15)26-18-9-6-13(11-23-18)19(20,21)22/h2-11H,1H2,(H,24,25).
What are the key properties of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide?
N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide has a molecular weight of 358.32 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide is sourced from PubChem (CID 166924895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).