[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate

C18H18ClNO4 — CID 8528048

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
SMILESCc1cccc(C)c1OCC(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO4/c1-12-5-3-6-13(2)18(12)24-11-17(22)23-10-16(21)20-15-8-4-7-14(19)9-15/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyZIPIJVGLMZXDGP-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.52
Rot. Bonds6

About [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate

[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate (PubChem CID 8528048) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
PubChem CID8528048
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
SMILESCc1cccc(C)c1OCC(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO4/c1-12-5-3-6-13(2)18(12)24-11-17(22)23-10-16(21)20-15-8-4-7-14(19)9-15/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyZIPIJVGLMZXDGP-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631709
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2577038
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539752
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527877
2-(2-amino-4,6-dimethylphenoxy)-N-(3-chlorophenyl)acetamide
CID 62056523
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
[2-(3-chloroanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839443
[2-(3-chloroanilino)-2-oxoethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7684346
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770548
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate (CID 8528048) is [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate is Cc1cccc(C)c1OCC(=O)OCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate?
The InChIKey is ZIPIJVGLMZXDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12-5-3-6-13(2)18(12)24-11-17(22)23-10-16(21)20-15-8-4-7-14(19)9-15/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate?
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate has a molecular weight of 347.80 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 8528048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).