[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

C17H15Cl2NO4 — CID 8792855

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2NO4/c1-23-12-5-2-4-11(8-12)9-16(22)24-10-15(21)20-17-13(18)6-3-7-14(17)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyJOBZJYUUNNQXEO-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.73
Rot. Bonds6

About [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 8792855) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
PubChem CID8792855
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H15Cl2NO4/c1-23-12-5-2-4-11(8-12)9-16(22)24-10-15(21)20-17-13(18)6-3-7-14(17)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyJOBZJYUUNNQXEO-UHFFFAOYSA-N
XLogP3.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792811
N-(2-amino-6-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62085333
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7834140
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792849
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840224
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7834157
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840025
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792879

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (CID 8792855) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is JOBZJYUUNNQXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-23-12-5-2-4-11(8-12)9-16(22)24-10-15(21)20-17-13(18)6-3-7-14(17)19/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 368.22 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 8792855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).