[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate

C18H18FNO5 — CID 2501342

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H18FNO5/c1-3-24-15-9-4-12(10-16(15)23-2)18(22)25-11-17(21)20-14-7-5-13(19)6-8-14/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyYJNARIPGHFBPTL-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.03
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate

[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate (PubChem CID 2501342) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
PubChem CID2501342
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H18FNO5/c1-3-24-15-9-4-12(10-16(15)23-2)18(22)25-11-17(21)20-14-7-5-13(19)6-8-14/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyYJNARIPGHFBPTL-UHFFFAOYSA-N
XLogP3.03
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25439557
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416061
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-oxo-2-(prop-2-enylamino)ethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 18074118
[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416051
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 16624472
[2-(4-nitroanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903841
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915
[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991360
dimethyl 5-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 29458941
(3-fluorophenyl)methyl 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 18229658
3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 3976698

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate (CID 2501342) is [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1OC.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The InChIKey is YJNARIPGHFBPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-3-24-15-9-4-12(10-16(15)23-2)18(22)25-11-17(21)20-14-7-5-13(19)6-8-14/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate has a molecular weight of 347.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 2501342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).