[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C18H18ClNO4 — CID 7856028

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCc1ccc(NC(=O)COC(=O)COc2ccccc2Cl)cc1C
InChIInChI=1S/C18H18ClNO4/c1-12-7-8-14(9-13(12)2)20-17(21)10-24-18(22)11-23-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyDQWPOJKSUXCSKZ-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.52
Rot. Bonds6

About [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 7856028) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID7856028
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCc1ccc(NC(=O)COC(=O)COc2ccccc2Cl)cc1C
InChIInChI=1S/C18H18ClNO4/c1-12-7-8-14(9-13(12)2)20-17(21)10-24-18(22)11-23-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyDQWPOJKSUXCSKZ-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-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 2105203
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512
[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 41465436
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982072
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 7856028) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is Cc1ccc(NC(=O)COC(=O)COc2ccccc2Cl)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is DQWPOJKSUXCSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12-7-8-14(9-13(12)2)20-17(21)10-24-18(22)11-23-16-6-4-3-5-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)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-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 7856028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).