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

C17H15ClFNO — CID 1122223

IUPAC(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO/c18-16-4-2-1-3-14(16)7-10-17(21)20-12-11-13-5-8-15(19)9-6-13/h1-10H,11-12H2,(H,20,21)/b10-7+
InChIKeyGFVHFLKJXPFYRK-JXMROGBWSA-N
MW303.76 g/mol
LogP3.85
Rot. Bonds5

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

(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide (PubChem CID 1122223) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
PubChem CID1122223
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO/c18-16-4-2-1-3-14(16)7-10-17(21)20-12-11-13-5-8-15(19)9-6-13/h1-10H,11-12H2,(H,20,21)/b10-7+
InChIKeyGFVHFLKJXPFYRK-JXMROGBWSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide (CID 1122223) is (E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NCCc1ccc(F)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
The InChIKey is GFVHFLKJXPFYRK-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-16-4-2-1-3-14(16)7-10-17(21)20-12-11-13-5-8-15(19)9-6-13/h1-10H,11-12H2,(H,20,21)/b10-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide has a molecular weight of 303.76 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 1122223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).