(E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one

C16H14FNO — CID 2245725

IUPAC(E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H14FNO/c17-15-8-6-13(7-9-15)12-18-11-10-16(19)14-4-2-1-3-5-14/h1-11,18H,12H2/b11-10+
InChIKeyOOAURUOEDHPQSS-ZHACJKMWSA-N
MW255.29 g/mol
LogP3.31
Rot. Bonds5

About (E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one

(E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one (PubChem CID 2245725) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one
PubChem CID2245725
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H14FNO/c17-15-8-6-13(7-9-15)12-18-11-10-16(19)14-4-2-1-3-5-14/h1-11,18H,12H2/b11-10+
InChIKeyOOAURUOEDHPQSS-ZHACJKMWSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.31
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)methylamino]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one (CID 2245725) is (E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one is O=C(/C=C/NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one?
The InChIKey is OOAURUOEDHPQSS-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14FNO/c17-15-8-6-13(7-9-15)12-18-11-10-16(19)14-4-2-1-3-5-14/h1-11,18H,12H2/b11-10+.
What are the key properties of (E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one?
(E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one has a molecular weight of 255.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(4-fluorophenyl)methylamino]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 2245725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).