[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

C18H18ClNO4 — CID 8792811

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H18ClNO4/c1-12-6-7-14(10-16(12)19)20-17(21)11-24-18(22)9-13-4-3-5-15(8-13)23-2/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyUKSHZCCZWWNKKH-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.38
Rot. Bonds6

About [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 8792811) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
PubChem CID8792811
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H18ClNO4/c1-12-6-7-14(10-16(12)19)20-17(21)11-24-18(22)9-13-4-3-5-15(8-13)23-2/h3-8,10H,9,11H2,1-2H3,(H,20,21)
InChIKeyUKSHZCCZWWNKKH-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840025
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
[2-(3-methoxyanilino)-2-oxoethyl] 5-(3-chloro-4-methylanilino)-5-oxopentanoate
CID 17261857
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840224
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792855
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822838
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790
N-(3-chloro-4-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794634
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590459
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (CID 8792811) is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is UKSHZCCZWWNKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12-6-7-14(10-16(12)19)20-17(21)11-24-18(22)9-13-4-3-5-15(8-13)23-2/h3-8,10H,9,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 347.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 8792811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).