(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide

C22H19FN2O2 — CID 166232262

IUPAC(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C22H19FN2O2/c23-20-16-18(6-8-21(20)27-19-4-2-1-3-5-19)12-15-25-22(26)9-7-17-10-13-24-14-11-17/h1-11,13-14,16H,12,15H2,(H,25,26)/b9-7+
InChIKeyRNGTXBFIXYCSEA-VQHVLOKHSA-N
MW362.40 g/mol
LogP4.39
Rot. Bonds7

About (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 166232262) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID166232262
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C22H19FN2O2/c23-20-16-18(6-8-21(20)27-19-4-2-1-3-5-19)12-15-25-22(26)9-7-17-10-13-24-14-11-17/h1-11,13-14,16H,12,15H2,(H,25,26)/b9-7+
InChIKeyRNGTXBFIXYCSEA-VQHVLOKHSA-N
XLogP4.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.39
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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Related Compounds

(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 34908473
(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide
CID 166213046
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
CID 39585351
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 8781311
(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide
CID 47740224
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9210510
(E)-3-(3-amino-4-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 39384361
(E)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058334
(E)-N-[2-(3-methoxyphenoxy)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 39620882
(E)-3-(2,5-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058064
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide (CID 166232262) is (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1ccncc1)NCCc1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is RNGTXBFIXYCSEA-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-20-16-18(6-8-21(20)27-19-4-2-1-3-5-19)12-15-25-22(26)9-7-17-10-13-24-14-11-17/h1-11,13-14,16H,12,15H2,(H,25,26)/b9-7+.
What are the key properties of (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 362.40 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 166232262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).