(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide

C20H20F2N2O2 — CID 25162428

IUPAC(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C20H20F2N2O2/c1-3-24(19(26)12-11-15-9-7-14(2)8-10-15)13-18(25)23-20-16(21)5-4-6-17(20)22/h4-12H,3,13H2,1-2H3,(H,23,25)/b12-11+
InChIKeySUEJESRVIGEHJW-VAWYXSNFSA-N
MW358.39 g/mol
LogP3.77
Rot. Bonds6

About (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide

(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide (PubChem CID 25162428) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide
PubChem CID25162428
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C20H20F2N2O2/c1-3-24(19(26)12-11-15-9-7-14(2)8-10-15)13-18(25)23-20-16(21)5-4-6-17(20)22/h4-12H,3,13H2,1-2H3,(H,23,25)/b12-11+
InChIKeySUEJESRVIGEHJW-VAWYXSNFSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide (CID 25162428) is (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is SUEJESRVIGEHJW-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-3-24(19(26)12-11-15-9-7-14(2)8-10-15)13-18(25)23-20-16(21)5-4-6-17(20)22/h4-12H,3,13H2,1-2H3,(H,23,25)/b12-11+.
What are the key properties of (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 358.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 25162428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).