[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate

C18H18FNO4 — CID 71820864

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO4/c1-2-23-16-9-3-13(4-10-16)11-18(22)24-12-17(21)20-15-7-5-14(19)6-8-15/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyQYMRGQMFBNSKHH-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.95
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate

[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate (PubChem CID 71820864) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
PubChem CID71820864
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO4/c1-2-23-16-9-3-13(4-10-16)11-18(22)24-12-17(21)20-15-7-5-14(19)6-8-15/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyQYMRGQMFBNSKHH-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306
[2-(4-fluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133158
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758895
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate (CID 71820864) is [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate is CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate?
The InChIKey is QYMRGQMFBNSKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-2-23-16-9-3-13(4-10-16)11-18(22)24-12-17(21)20-15-7-5-14(19)6-8-15/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate has a molecular weight of 331.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate is sourced from PubChem (CID 71820864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).