(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide

C23H20FN3O3 — CID 47740224

IUPAC(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1
InChIInChI=1S/C23H20FN3O3/c1-16(28)27-19-8-4-17(5-9-19)7-11-23(29)26-14-18-6-10-22(21(24)13-18)30-20-3-2-12-25-15-20/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28)/b11-7+
InChIKeyWYXXFMATCPKESH-YRNVUSSQSA-N
MW405.43 g/mol
LogP4.30
Rot. Bonds7

About (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide (PubChem CID 47740224) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide
PubChem CID47740224
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1
InChIInChI=1S/C23H20FN3O3/c1-16(28)27-19-8-4-17(5-9-19)7-11-23(29)26-14-18-6-10-22(21(24)13-18)30-20-3-2-12-25-15-20/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28)/b11-7+
InChIKeyWYXXFMATCPKESH-YRNVUSSQSA-N
XLogP4.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(3-methoxy-4-methylphenyl)ethyl]prop-2-enamide
CID 166213046
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
1-(1,3-dioxoisoindol-5-yl)-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]urea
CID 48814202
(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 166232262
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
1-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine
CID 110952626
(E)-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide
CID 56578279
(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide
CID 51333626
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine
CID 111846945
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3,5-dinitrobenzamide
CID 47739998
(E)-N-[1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide
CID 166229813
1-tert-butyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110964790

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide (CID 47740224) is (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide?
The InChIKey is WYXXFMATCPKESH-YRNVUSSQSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-16(28)27-19-8-4-17(5-9-19)7-11-23(29)26-14-18-6-10-22(21(24)13-18)30-20-3-2-12-25-15-20/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28)/b11-7+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide has a molecular weight of 405.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 47740224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).