(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide

C17H14Cl2FNO — CID 898247

IUPAC(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2FNO/c18-13-4-1-3-12(11-13)9-10-21-17(22)8-7-14-15(19)5-2-6-16(14)20/h1-8,11H,9-10H2,(H,21,22)/b8-7+
InChIKeyQGBDLHKPRHJXLN-BQYQJAHWSA-N
MW338.21 g/mol
LogP4.50
Rot. Bonds5

About (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide

(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide (PubChem CID 898247) has the molecular formula C17H14Cl2FNO and a molecular weight of 338.21 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
PubChem CID898247
Molecular FormulaC17H14Cl2FNO
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2FNO/c18-13-4-1-3-12(11-13)9-10-21-17(22)8-7-14-15(19)5-2-6-16(14)20/h1-8,11H,9-10H2,(H,21,22)/b8-7+
InChIKeyQGBDLHKPRHJXLN-BQYQJAHWSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.50
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-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide (CID 898247) is (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide is O=C(/C=C/c1c(F)cccc1Cl)NCCc1cccc(Cl)c1.
What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide?
The InChIKey is QGBDLHKPRHJXLN-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H14Cl2FNO/c18-13-4-1-3-12(11-13)9-10-21-17(22)8-7-14-15(19)5-2-6-16(14)20/h1-8,11H,9-10H2,(H,21,22)/b8-7+.
What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide?
(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide has a molecular weight of 338.21 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 898247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).