(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide

C15H15FN2O2 — CID 134582115

IUPAC(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2=NCCC=C2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-20-12-7-5-11(13(16)10-12)6-8-15(19)18-14-4-2-3-9-17-14/h2,4-8,10H,3,9H2,1H3,(H,17,18,19)/b8-6+
InChIKeyMUOLOXXJCWPMKQ-SOFGYWHQSA-N
MW274.30 g/mol
LogP2.32
Rot. Bonds3

About (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide

(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide (PubChem CID 134582115) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide
PubChem CID134582115
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2=NCCC=C2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-20-12-7-5-11(13(16)10-12)6-8-15(19)18-14-4-2-3-9-17-14/h2,4-8,10H,3,9H2,1H3,(H,17,18,19)/b8-6+
InChIKeyMUOLOXXJCWPMKQ-SOFGYWHQSA-N
XLogP2.32
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.32
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 (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide (CID 134582115) is (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC2=NCCC=C2)c(F)c1.
What is the InChIKey of (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide?
The InChIKey is MUOLOXXJCWPMKQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-12-7-5-11(13(16)10-12)6-8-15(19)18-14-4-2-3-9-17-14/h2,4-8,10H,3,9H2,1H3,(H,17,18,19)/b8-6+.
What are the key properties of (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide?
(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide has a molecular weight of 274.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 134582115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).