(E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide

C19H19FN2O3 — CID 9438334

IUPAC(E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O3/c1-22(19(24)12-7-14-5-3-4-6-17(14)20)13-18(23)21-15-8-10-16(25-2)11-9-15/h3-12H,13H2,1-2H3,(H,21,23)/b12-7+
InChIKeyFWLKKNMASLUTQU-KPKJPENVSA-N
MW342.37 g/mol
LogP2.94
Rot. Bonds6

About (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide

(E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 9438334) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID9438334
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O3/c1-22(19(24)12-7-14-5-3-4-6-17(14)20)13-18(23)21-15-8-10-16(25-2)11-9-15/h3-12H,13H2,1-2H3,(H,21,23)/b12-7+
InChIKeyFWLKKNMASLUTQU-KPKJPENVSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]prop-2-enamide
CID 9220533
(E)-3-(5-bromo-2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 17440544
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 7936691
(E)-3-(2,3-dimethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9441423
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 40613375
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 8973500
(E)-N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide
CID 9426951
methyl 3-[3-(2-fluorophenyl)prop-2-enoyl-methylamino]-2-methylpropanoate
CID 76912312
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide
CID 76872152
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9409894
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide (CID 9438334) is (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide is COc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccccc2F)cc1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is FWLKKNMASLUTQU-KPKJPENVSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-22(19(24)12-7-14-5-3-4-6-17(14)20)13-18(23)21-15-8-10-16(25-2)11-9-15/h3-12H,13H2,1-2H3,(H,21,23)/b12-7+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 342.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 9438334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).