[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

C18H17ClN2O5 — CID 2521223

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O5/c1-12(22)20-14-4-6-15(7-5-14)21-17(23)10-26-18(24)11-25-16-8-2-13(19)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyFYIQCCURQCKLJA-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.86
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 2521223) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID2521223
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O5/c1-12(22)20-14-4-6-15(7-5-14)21-17(23)10-26-18(24)11-25-16-8-2-13(19)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyFYIQCCURQCKLJA-UHFFFAOYSA-N
XLogP2.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579572
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631709
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
CID 35943053
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
[2-(4-chloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7695103
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 2521223) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is CC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is FYIQCCURQCKLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-12(22)20-14-4-6-15(7-5-14)21-17(23)10-26-18(24)11-25-16-8-2-13(19)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 376.80 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2521223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).