[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate

C18H18ClNO5 — CID 8615244

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C18H18ClNO5/c1-23-15-8-7-13(19)9-12(15)10-18(22)25-11-17(21)20-14-5-3-4-6-16(14)24-2/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyATYKURUPHPXWMP-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.08
Rot. Bonds7

About [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate

[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8615244) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8615244
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C18H18ClNO5/c1-23-15-8-7-13(19)9-12(15)10-18(22)25-11-17(21)20-14-5-3-4-6-16(14)24-2/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyATYKURUPHPXWMP-UHFFFAOYSA-N
XLogP3.08
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615173
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615444
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534424
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616530
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615503
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 124554760

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate (CID 8615244) is [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1ccccc1OC.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is ATYKURUPHPXWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-23-15-8-7-13(19)9-12(15)10-18(22)25-11-17(21)20-14-5-3-4-6-16(14)24-2/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 363.80 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8615244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).