5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one

C19H20FNO — CID 71426927

IUPAC5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one
SMILESCN(CCC(=O)C=Cc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C19H20FNO/c1-21(15-17-5-3-2-4-6-17)14-13-19(22)12-9-16-7-10-18(20)11-8-16/h2-12H,13-15H2,1H3
InChIKeyJOFUCFFUTDYTPO-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.93
Rot. Bonds7

About 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one

5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one (PubChem CID 71426927) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one
PubChem CID71426927
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one
SMILESCN(CCC(=O)C=Cc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C19H20FNO/c1-21(15-17-5-3-2-4-6-17)14-13-19(22)12-9-16-7-10-18(20)11-8-16/h2-12H,13-15H2,1H3
InChIKeyJOFUCFFUTDYTPO-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
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 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one?
The IUPAC name of 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one (CID 71426927) is 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one.
What is the SMILES notation for 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one?
The canonical SMILES for 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one is CN(CCC(=O)C=Cc1ccc(F)cc1)Cc1ccccc1.
What is the InChIKey of 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one?
The InChIKey is JOFUCFFUTDYTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-21(15-17-5-3-2-4-6-17)14-13-19(22)12-9-16-7-10-18(20)11-8-16/h2-12H,13-15H2,1H3.
What are the key properties of 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one?
5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one has a molecular weight of 297.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-1-(4-fluorophenyl)pent-1-en-3-one is sourced from PubChem (CID 71426927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).