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

C17H15ClFNO — CID 896580

IUPAC(E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClFNO/c18-15-3-1-2-14(12-15)10-11-20-17(21)9-6-13-4-7-16(19)8-5-13/h1-9,12H,10-11H2,(H,20,21)/b9-6+
InChIKeyCXDKKLDUQPBNES-RMKNXTFCSA-N
MW303.76 g/mol
LogP3.85
Rot. Bonds5

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

(E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 896580) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is (E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID896580
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name(E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClFNO/c18-15-3-1-2-14(12-15)10-11-20-17(21)9-6-13-4-7-16(19)8-5-13/h1-9,12H,10-11H2,(H,20,21)/b9-6+
InChIKeyCXDKKLDUQPBNES-RMKNXTFCSA-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)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide (CID 896580) is (E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCCc1cccc(Cl)c1.
What is the InChIKey of (E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is CXDKKLDUQPBNES-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-15-3-1-2-14(12-15)10-11-20-17(21)9-6-13-4-7-16(19)8-5-13/h1-9,12H,10-11H2,(H,20,21)/b9-6+.
What are the key properties of (E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)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)-N-[2-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 896580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).