[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

C18H15F2NO4 — CID 2348304

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C18H15F2NO4/c1-24-15-8-3-2-5-12(15)9-10-17(23)25-11-16(22)21-18-13(19)6-4-7-14(18)20/h2-10H,11H2,1H3,(H,21,22)/b10-9+
InChIKeyXLAITNGCAZDYAG-MDZDMXLPSA-N
MW347.32 g/mol
LogP3.17
Rot. Bonds6

About [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 2348304) has the molecular formula C18H15F2NO4 and a molecular weight of 347.32 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID2348304
Molecular FormulaC18H15F2NO4
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C18H15F2NO4/c1-24-15-8-3-2-5-12(15)9-10-17(23)25-11-16(22)21-18-13(19)6-4-7-14(18)20/h2-10H,11H2,1H3,(H,21,22)/b10-9+
InChIKeyXLAITNGCAZDYAG-MDZDMXLPSA-N
XLogP3.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 2348304) is [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)OCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is XLAITNGCAZDYAG-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H15F2NO4/c1-24-15-8-3-2-5-12(15)9-10-17(23)25-11-16(22)21-18-13(19)6-4-7-14(18)20/h2-10H,11H2,1H3,(H,21,22)/b10-9+.
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 347.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2348304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).