(E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide

C14H11FN2O — CID 673239

IUPAC(E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccccn1
InChIInChI=1S/C14H11FN2O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-10H,(H,16,17,18)/b9-6+
InChIKeyBPJGFFDQQBQVCF-RMKNXTFCSA-N
MW242.25 g/mol
LogP2.87
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide

(E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 673239) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID673239
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name(E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccccn1
InChIInChI=1S/C14H11FN2O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-10H,(H,16,17,18)/b9-6+
InChIKeyBPJGFFDQQBQVCF-RMKNXTFCSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide (CID 673239) is (E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccccn1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is BPJGFFDQQBQVCF-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-10H,(H,16,17,18)/b9-6+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide?
(E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 242.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 673239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).