[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C19H18ClNO5 — CID 9326836

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClNO5/c1-2-17(22)13-3-9-16(10-4-13)25-12-19(24)26-11-18(23)21-15-7-5-14(20)6-8-15/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyTVKGSJSHVUQPFG-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.49
Rot. Bonds8

About [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 9326836) has the molecular formula C19H18ClNO5 and a molecular weight of 375.81 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID9326836
Molecular FormulaC19H18ClNO5
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClNO5/c1-2-17(22)13-3-9-16(10-4-13)25-12-19(24)26-11-18(23)21-15-7-5-14(20)6-8-15/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyTVKGSJSHVUQPFG-UHFFFAOYSA-N
XLogP3.49
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855157
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579572
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750963
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855139
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9325956
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855188
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16624970

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 9326836) is [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is TVKGSJSHVUQPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5/c1-2-17(22)13-3-9-16(10-4-13)25-12-19(24)26-11-18(23)21-15-7-5-14(20)6-8-15/h3-10H,2,11-12H2,1H3,(H,21,23).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 375.81 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 9326836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).