[2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

C19H16FNO4 — CID 7284818

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-13(22)21-17(11-14-5-3-2-4-6-14)19(24)25-12-18(23)15-7-9-16(20)10-8-15/h2-11H,12H2,1H3,(H,21,22)/b17-11-
InChIKeyXBKHPWKSBQEKGU-BOPFTXTBSA-N
MW341.34 g/mol
LogP2.73
Rot. Bonds6

About [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

[2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7284818) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7284818
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-13(22)21-17(11-14-5-3-2-4-6-14)19(24)25-12-18(23)15-7-9-16(20)10-8-15/h2-11H,12H2,1H3,(H,21,22)/b17-11-
InChIKeyXBKHPWKSBQEKGU-BOPFTXTBSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluorophenyl)-2-oxoethyl [(phenylacetyl)amino]acetate
CID 1615713
[2-(Tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2433057
benzyl (2Z)-2-(acetylamino)-3-(4-fluorophenyl)acrylate
CID 5286664
(4-fluorophenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284814
[2-(Tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2363875
[2-(4-Fluorophenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547297
[2-(Tert-butylamino)-2-oxo-1-phenylethyl] benzoate
CID 102255833
2-(4-fluorophenyl)-2-oxoethyl N-acetylphenylalaninate
CID 2913195
phenacyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284875
[3-Ethoxy-3-oxo-2-[(2-phenylacetyl)amino]prop-1-enyl] benzoate
CID 227270
[2-(Tert-butylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7554575
(1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate
CID 24982957

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7284818) is [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is XBKHPWKSBQEKGU-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-13(22)21-17(11-14-5-3-2-4-6-14)19(24)25-12-18(23)15-7-9-16(20)10-8-15/h2-11H,12H2,1H3,(H,21,22)/b17-11-.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
[2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 341.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7284818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).