[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate

C16H16F2N2O5 — CID 2412140

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate
SMILESO=C(COC(=O)/C=C/C(=O)N1CCOCC1)Nc1c(F)cccc1F
InChIInChI=1S/C16H16F2N2O5/c17-11-2-1-3-12(18)16(11)19-13(21)10-25-15(23)5-4-14(22)20-6-8-24-9-7-20/h1-5H,6-10H2,(H,19,21)/b5-4+
InChIKeyVIDQVXMNVSKBJH-SNAWJCMRSA-N
MW354.31 g/mol
LogP0.86
Rot. Bonds5

About [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate

[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate (PubChem CID 2412140) has the molecular formula C16H16F2N2O5 and a molecular weight of 354.31 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate
PubChem CID2412140
Molecular FormulaC16H16F2N2O5
Molecular Weight354.31 g/mol
Exact Mass354.10
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate
SMILESO=C(COC(=O)/C=C/C(=O)N1CCOCC1)Nc1c(F)cccc1F
InChIInChI=1S/C16H16F2N2O5/c17-11-2-1-3-12(18)16(11)19-13(21)10-25-15(23)5-4-14(22)20-6-8-24-9-7-20/h1-5H,6-10H2,(H,19,21)/b5-4+
InChIKeyVIDQVXMNVSKBJH-SNAWJCMRSA-N
XLogP0.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate (CID 2412140) is [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate is O=C(COC(=O)/C=C/C(=O)N1CCOCC1)Nc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate?
The InChIKey is VIDQVXMNVSKBJH-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H16F2N2O5/c17-11-2-1-3-12(18)16(11)19-13(21)10-25-15(23)5-4-14(22)20-6-8-24-9-7-20/h1-5H,6-10H2,(H,19,21)/b5-4+.
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate?
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate has a molecular weight of 354.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate is sourced from PubChem (CID 2412140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).