methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate

C18H19FN2O3 — CID 31418743

IUPACmethyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate
SMILESCCc1ccc(NC(=O)CNc2cc(C(=O)OC)ccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-3-12-4-7-14(8-5-12)21-17(22)11-20-16-10-13(18(23)24-2)6-9-15(16)19/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyFOYFITSZDCUNGL-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.23
Rot. Bonds6

About methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate

methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate (PubChem CID 31418743) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate
PubChem CID31418743
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Namemethyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate
SMILESCCc1ccc(NC(=O)CNc2cc(C(=O)OC)ccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-3-12-4-7-14(8-5-12)21-17(22)11-20-16-10-13(18(23)24-2)6-9-15(16)19/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyFOYFITSZDCUNGL-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate with MolForge

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Related Compounds

methyl 3-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17454893
methyl 4-fluoro-3-[[2-(2-iodoanilino)-2-oxoethyl]amino]benzoate
CID 31418792
methyl 4-fluoro-3-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 86930911
methyl 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104465
2-(2,5-difluoroanilino)-N-(4-ethoxyphenyl)acetamide
CID 42069587
methyl 3-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]-4-fluorobenzoate
CID 86922278
methyl 4-[[3-(4-ethylanilino)-3-oxopropyl]amino]benzoate
CID 109036302
ethyl 4-[[2-(2,3,4-trifluoroanilino)acetyl]amino]benzoate
CID 30717065
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate
CID 24662266
methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate?
The IUPAC name of methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate (CID 31418743) is methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate.
What is the SMILES notation for methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate?
The canonical SMILES for methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate is CCc1ccc(NC(=O)CNc2cc(C(=O)OC)ccc2F)cc1.
What is the InChIKey of methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate?
The InChIKey is FOYFITSZDCUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-3-12-4-7-14(8-5-12)21-17(22)11-20-16-10-13(18(23)24-2)6-9-15(16)19/h4-10,20H,3,11H2,1-2H3,(H,21,22).
What are the key properties of methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate?
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate has a molecular weight of 330.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]amino]-4-fluorobenzoate is sourced from PubChem (CID 31418743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).