2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide

C15H11F3N2O — CID 175876313

IUPAC2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C15H11F3N2O/c1-9(14(19)21)10-2-4-11(5-3-10)13-8-12(6-7-20-13)15(16,17)18/h2-8H,1H2,(H2,19,21)
InChIKeyAZKMTUANJBQOCW-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.27
Rot. Bonds3

About 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide

2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide (PubChem CID 175876313) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
PubChem CID175876313
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
SMILESC=C(C(N)=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C15H11F3N2O/c1-9(14(19)21)10-2-4-11(5-3-10)13-8-12(6-7-20-13)15(16,17)18/h2-8H,1H2,(H2,19,21)
InChIKeyAZKMTUANJBQOCW-UHFFFAOYSA-N
XLogP3.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
N-(2-hydroxyphenyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673564
2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone
CID 143032649
N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673707
N-(2-oxo-1H-pyridin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 143032463
N-(2-methoxyethyl)-N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 119075124
N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673003
[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidenehydrazine
CID 168531320
N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672796
2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride
CID 176896090
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673106

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide?
The IUPAC name of 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide (CID 175876313) is 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide is C=C(C(N)=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide?
The InChIKey is AZKMTUANJBQOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-9(14(19)21)10-2-4-11(5-3-10)13-8-12(6-7-20-13)15(16,17)18/h2-8H,1H2,(H2,19,21).
What are the key properties of 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide?
2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide has a molecular weight of 292.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide is sourced from PubChem (CID 175876313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).