[2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate

C18H17Cl2NO3 — CID 3484353

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-2-13(12-7-4-3-5-8-12)18(23)24-11-16(22)21-17-14(19)9-6-10-15(17)20/h3-10,13H,2,11H2,1H3,(H,21,22)
InChIKeyILKJHACKJOUNJI-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.67
Rot. Bonds6

About [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate (PubChem CID 3484353) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
PubChem CID3484353
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-2-13(12-7-4-3-5-8-12)18(23)24-11-16(22)21-17-14(19)9-6-10-15(17)20/h3-10,13H,2,11H2,1H3,(H,21,22)
InChIKeyILKJHACKJOUNJI-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diclofenac Ethyl Ester
CID 11381728
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2431096
[2-(4-Methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2335004
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922
[2-(4-Ethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2356404
[2-(2,6-Difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2359467
[2-(4-Acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2375779
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 3490958
[2-(2,5-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4345007
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4801740
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2344661
[2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2380699

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate (CID 3484353) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate?
The InChIKey is ILKJHACKJOUNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-2-13(12-7-4-3-5-8-12)18(23)24-11-16(22)21-17-14(19)9-6-10-15(17)20/h3-10,13H,2,11H2,1H3,(H,21,22).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate has a molecular weight of 366.24 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-phenylbutanoate is sourced from PubChem (CID 3484353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).