[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C19H17Cl2NO5 — CID 7855157

IUPAC[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H17Cl2NO5/c1-2-17(23)12-3-5-16(6-4-12)26-11-19(25)27-10-18(24)22-15-8-13(20)7-14(21)9-15/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyGHTXYNNTNZDDKT-UHFFFAOYSA-N
MW410.25 g/mol
LogP4.15
Rot. Bonds8

About [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 7855157) has the molecular formula C19H17Cl2NO5 and a molecular weight of 410.25 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID7855157
Molecular FormulaC19H17Cl2NO5
Molecular Weight410.25 g/mol
Exact Mass409.05
IUPAC Name[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H17Cl2NO5/c1-2-17(23)12-3-5-16(6-4-12)26-11-19(25)27-10-18(24)22-15-8-13(20)7-14(21)9-15/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyGHTXYNNTNZDDKT-UHFFFAOYSA-N
XLogP4.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855188
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855164
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9325956
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 40719319
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855139
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326061
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579572

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 7855157) is [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is GHTXYNNTNZDDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO5/c1-2-17(23)12-3-5-16(6-4-12)26-11-19(25)27-10-18(24)22-15-8-13(20)7-14(21)9-15/h3-9H,2,10-11H2,1H3,(H,22,24).
What are the key properties of [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 410.25 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 7855157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).