[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate

C18H18ClNO4 — CID 7758284

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C18H18ClNO4/c1-3-23-16-7-5-4-6-13(16)18(22)24-11-17(21)20-15-9-8-12(2)10-14(15)19/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyIYSCGXIPDNDOEY-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.84
Rot. Bonds6

About [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 7758284) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
PubChem CID7758284
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C18H18ClNO4/c1-3-23-16-7-5-4-6-13(16)18(22)24-11-17(21)20-15-9-8-12(2)10-14(15)19/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyIYSCGXIPDNDOEY-UHFFFAOYSA-N
XLogP3.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903768
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2662062
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816055
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-methoxybenzoate
CID 40565879
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate (CID 7758284) is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is IYSCGXIPDNDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-3-23-16-7-5-4-6-13(16)18(22)24-11-17(21)20-15-9-8-12(2)10-14(15)19/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate?
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 347.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 7758284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).