3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide

C18H19FN2O2 — CID 103598831

IUPAC3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCCCCn1ccccc1=O
InChIInChI=1S/C18H19FN2O2/c19-16-9-6-15(7-10-16)8-11-17(22)20-12-2-4-14-21-13-3-1-5-18(21)23/h1,3,5-11,13H,2,4,12,14H2,(H,20,22)
InChIKeyFSCQXVYLCNDAOX-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.60
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide

3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide (PubChem CID 103598831) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide
PubChem CID103598831
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCCCCn1ccccc1=O
InChIInChI=1S/C18H19FN2O2/c19-16-9-6-15(7-10-16)8-11-17(22)20-12-2-4-14-21-13-3-1-5-18(21)23/h1,3,5-11,13H,2,4,12,14H2,(H,20,22)
InChIKeyFSCQXVYLCNDAOX-UHFFFAOYSA-N
XLogP2.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
(E)-3-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30885116
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
(E)-3-(4-fluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]prop-2-enamide
CID 90538706
(E)-N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19295855
(E)-3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 99998398
(E)-3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932622
(E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide
CID 139762542
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7758290
1,2-dimethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 75526639
(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
CID 121034389

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide (CID 103598831) is 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide is O=C(C=Cc1ccc(F)cc1)NCCCCn1ccccc1=O.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide?
The InChIKey is FSCQXVYLCNDAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-9-6-15(7-10-16)8-11-17(22)20-12-2-4-14-21-13-3-1-5-18(21)23/h1,3,5-11,13H,2,4,12,14H2,(H,20,22).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide?
3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide has a molecular weight of 314.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide is sourced from PubChem (CID 103598831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).