(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide

C18H12FNO3 — CID 108805868

IUPAC(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1coc2ccccc2c1=O)Nc1ccccc1F
InChIInChI=1S/C18H12FNO3/c19-14-6-2-3-7-15(14)20-17(21)10-9-12-11-23-16-8-4-1-5-13(16)18(12)22/h1-11H,(H,20,21)/b10-9+
InChIKeyUWVYZJVIKFFJDY-MDZDMXLPSA-N
MW309.30 g/mol
LogP3.58
Rot. Bonds3

About (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide

(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide (PubChem CID 108805868) has the molecular formula C18H12FNO3 and a molecular weight of 309.30 g/mol. Its IUPAC name is (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
PubChem CID108805868
Molecular FormulaC18H12FNO3
Molecular Weight309.30 g/mol
Exact Mass309.08
IUPAC Name(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1coc2ccccc2c1=O)Nc1ccccc1F
InChIInChI=1S/C18H12FNO3/c19-14-6-2-3-7-15(14)20-17(21)10-9-12-11-23-16-8-4-1-5-13(16)18(12)22/h1-11H,(H,20,21)/b10-9+
InChIKeyUWVYZJVIKFFJDY-MDZDMXLPSA-N
XLogP3.58
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.58
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-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805864
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108745072
(E)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794202
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102
(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805807
(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108794040
(E)-N-(6-hydroxyhexyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805840
(E)-N-(4-butoxyphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794158
2-[[4-[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]benzoyl]amino]acetic acid
CID 108794172
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794087
3-[[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 108745448

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide (CID 108805868) is (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide is O=C(/C=C/c1coc2ccccc2c1=O)Nc1ccccc1F.
What is the InChIKey of (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
The InChIKey is UWVYZJVIKFFJDY-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H12FNO3/c19-14-6-2-3-7-15(14)20-17(21)10-9-12-11-23-16-8-4-1-5-13(16)18(12)22/h1-11H,(H,20,21)/b10-9+.
What are the key properties of (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide?
(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide has a molecular weight of 309.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 108805868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).