(E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide

C15H12FNO — CID 727131

IUPAC(E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
InChIKeyFSGUMUYMSDYGOB-IZZDOVSWSA-N
MW241.26 g/mol
LogP3.48
Rot. Bonds3

About (E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide

(E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide (PubChem CID 727131) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide
PubChem CID727131
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name(E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
InChIKeyFSGUMUYMSDYGOB-IZZDOVSWSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-N-(4-fluorophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide (CID 727131) is (E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide?
The InChIKey is FSGUMUYMSDYGOB-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+.
What are the key properties of (E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide?
(E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide has a molecular weight of 241.26 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 727131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).