(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide

C19H18FNO2 — CID 110410017

IUPAC(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)NCC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H18FNO2/c1-2-14(15-6-4-3-5-7-15)12-19(23)21-13-18(22)16-8-10-17(20)11-9-16/h3-12H,2,13H2,1H3,(H,21,23)/b14-12+
InChIKeyQKOZNYICDSABLW-WYMLVPIESA-N
MW311.36 g/mol
LogP3.62
Rot. Bonds6

About (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide

(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide (PubChem CID 110410017) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide
PubChem CID110410017
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)NCC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H18FNO2/c1-2-14(15-6-4-3-5-7-15)12-19(23)21-13-18(22)16-8-10-17(20)11-9-16/h3-12H,2,13H2,1H3,(H,21,23)/b14-12+
InChIKeyQKOZNYICDSABLW-WYMLVPIESA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.62
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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Related Compounds

(E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide
CID 110308972
1-(4-fluorophenyl)-3,5-diphenylpent-2-ene-1,5-dione
CID 2801867
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-propan-2-ylurea
CID 110661716
1-phenyl(111C)propan-1-one
CID 11159350
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide
CID 110410733
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443
(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide
CID 110306939
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110607579
(E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide
CID 110618102

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide (CID 110410017) is (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide is CC/C(=C\C(=O)NCC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide?
The InChIKey is QKOZNYICDSABLW-WYMLVPIESA-N. The full InChI is InChI=1S/C19H18FNO2/c1-2-14(15-6-4-3-5-7-15)12-19(23)21-13-18(22)16-8-10-17(20)11-9-16/h3-12H,2,13H2,1H3,(H,21,23)/b14-12+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide?
(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide has a molecular weight of 311.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide is sourced from PubChem (CID 110410017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).