(E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide

C15H12FNO — CID 170876792

IUPAC(E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FNO/c16-13-8-5-12(6-9-13)14-4-2-1-3-11(14)7-10-15(17)18/h1-10H,(H2,17,18)/b10-7+
InChIKeyKBLONWJOMDFCHJ-JXMROGBWSA-N
MW241.26 g/mol
LogP2.99
Rot. Bonds3

About (E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide

(E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide (PubChem CID 170876792) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is (E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide
PubChem CID170876792
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name(E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FNO/c16-13-8-5-12(6-9-13)14-4-2-1-3-11(14)7-10-15(17)18/h1-10H,(H2,17,18)/b10-7+
InChIKeyKBLONWJOMDFCHJ-JXMROGBWSA-N
XLogP2.99
TPSA43.09 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 ≤ 52.99
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)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide (CID 170876792) is (E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide is NC(=O)/C=C/c1ccccc1-c1ccc(F)cc1.
What is the InChIKey of (E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide?
The InChIKey is KBLONWJOMDFCHJ-JXMROGBWSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-8-5-12(6-9-13)14-4-2-1-3-11(14)7-10-15(17)18/h1-10H,(H2,17,18)/b10-7+.
What are the key properties of (E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide?
(E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide has a molecular weight of 241.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 170876792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).