(E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

C17H15FN2O3 — CID 890886

IUPAC(E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-15-6-1-14(2-7-15)11-12-19-17(21)10-5-13-3-8-16(9-4-13)20(22)23/h1-10H,11-12H2,(H,19,21)/b10-5+
InChIKeyVPDCVGSETYLZIM-BJMVGYQFSA-N
MW314.32 g/mol
LogP3.11
Rot. Bonds6

About (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 890886) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID890886
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c18-15-6-1-14(2-7-15)11-12-19-17(21)10-5-13-3-8-16(9-4-13)20(22)23/h1-10H,11-12H2,(H,19,21)/b10-5+
InChIKeyVPDCVGSETYLZIM-BJMVGYQFSA-N
XLogP3.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide (CID 890886) is (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is VPDCVGSETYLZIM-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-15-6-1-14(2-7-15)11-12-19-17(21)10-5-13-3-8-16(9-4-13)20(22)23/h1-10H,11-12H2,(H,19,21)/b10-5+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 314.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 890886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).