[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate

C19H20ClNO4 — CID 8615444

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCCc1cccc(NC(=O)COC(=O)Cc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C19H20ClNO4/c1-3-13-5-4-6-16(9-13)21-18(22)12-25-19(23)11-14-10-15(20)7-8-17(14)24-2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyCAAZNLRIKCSKLI-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.64
Rot. Bonds7

About [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate

[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8615444) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8615444
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCCc1cccc(NC(=O)COC(=O)Cc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C19H20ClNO4/c1-3-13-5-4-6-16(9-13)21-18(22)12-25-19(23)11-14-10-15(20)7-8-17(14)24-2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyCAAZNLRIKCSKLI-UHFFFAOYSA-N
XLogP3.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615503
[2-(4-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615173
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823037
[2-(3-ethylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2513141
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019117
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590459
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616530
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615975
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534424
[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814066

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate (CID 8615444) is [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate is CCc1cccc(NC(=O)COC(=O)Cc2cc(Cl)ccc2OC)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is CAAZNLRIKCSKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-13-5-4-6-16(9-13)21-18(22)12-25-19(23)11-14-10-15(20)7-8-17(14)24-2/h4-10H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 361.83 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8615444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).