(E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide

C16H20FNO2 — CID 155534456

IUPAC(E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1cccc(F)c1
InChIInChI=1S/C16H20FNO2/c1-3-10-18(11-4-2)16(20)9-8-15(19)13-6-5-7-14(17)12-13/h5-9,12H,3-4,10-11H2,1-2H3/b9-8+
InChIKeyNYZOQLMZCUNQLZ-CMDGGOBGSA-N
MW277.34 g/mol
LogP3.21
Rot. Bonds7

About (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide

(E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide (PubChem CID 155534456) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide
PubChem CID155534456
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name(E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/C(=O)c1cccc(F)c1
InChIInChI=1S/C16H20FNO2/c1-3-10-18(11-4-2)16(20)9-8-15(19)13-6-5-7-14(17)12-13/h5-9,12H,3-4,10-11H2,1-2H3/b9-8+
InChIKeyNYZOQLMZCUNQLZ-CMDGGOBGSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.21
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 (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The IUPAC name of (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide (CID 155534456) is (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide.
What is the SMILES notation for (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The canonical SMILES for (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide is CCCN(CCC)C(=O)/C=C/C(=O)c1cccc(F)c1.
What is the InChIKey of (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
The InChIKey is NYZOQLMZCUNQLZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-3-10-18(11-4-2)16(20)9-8-15(19)13-6-5-7-14(17)12-13/h5-9,12H,3-4,10-11H2,1-2H3/b9-8+.
What are the key properties of (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide?
(E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide has a molecular weight of 277.34 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-fluorophenyl)-4-oxo-N,N-dipropylbut-2-enamide is sourced from PubChem (CID 155534456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).