(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide

C24H23FN2O3 — CID 166213046

IUPAC(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1cc(CCNC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)ccc1C
InChIInChI=1S/C24H23FN2O3/c1-17-5-6-19(15-23(17)29-2)11-13-27-24(28)10-8-18-7-9-22(21(25)14-18)30-20-4-3-12-26-16-20/h3-10,12,14-16H,11,13H2,1-2H3,(H,27,28)/b10-8+
InChIKeyLXZIIOMXFOKZEU-CSKARUKUSA-N
MW406.46 g/mol
LogP4.70
Rot. Bonds8

About (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide (PubChem CID 166213046) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide
PubChem CID166213046
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1cc(CCNC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)ccc1C
InChIInChI=1S/C24H23FN2O3/c1-17-5-6-19(15-23(17)29-2)11-13-27-24(28)10-8-18-7-9-22(21(25)14-18)30-20-4-3-12-26-16-20/h3-10,12,14-16H,11,13H2,1-2H3,(H,27,28)/b10-8+
InChIKeyLXZIIOMXFOKZEU-CSKARUKUSA-N
XLogP4.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9210510
(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 166232262
(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide
CID 47740224
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 123868458
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 34908473
[2-(2-methoxy-5-methylphenyl)-2-oxoethyl] (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoate
CID 166206002
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
(Z)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 23276568
[2-acetyloxy-4-[2-[[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]amino]ethyl]phenyl] acetate
CID 58348856
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220
(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]prop-2-enamide
CID 134186866
1-[3-[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]propyl]piperidine-3-carboxamide
CID 56547916

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide (CID 166213046) is (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide is COc1cc(CCNC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)ccc1C.
What is the InChIKey of (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is LXZIIOMXFOKZEU-CSKARUKUSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-17-5-6-19(15-23(17)29-2)11-13-27-24(28)10-8-18-7-9-22(21(25)14-18)30-20-4-3-12-26-16-20/h3-10,12,14-16H,11,13H2,1-2H3,(H,27,28)/b10-8+.
What are the key properties of (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide?
(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 406.46 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 166213046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).