[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate

C17H15Cl2NO4 — CID 40564745

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2NO4/c1-11-14(19)6-3-7-15(11)20-16(21)9-24-17(22)10-23-13-5-2-4-12(18)8-13/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyDQBIQIQMEPYAOU-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.86
Rot. Bonds6

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

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (PubChem CID 40564745) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
PubChem CID40564745
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2NO4/c1-11-14(19)6-3-7-15(11)20-16(21)9-24-17(22)10-23-13-5-2-4-12(18)8-13/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyDQBIQIQMEPYAOU-UHFFFAOYSA-N
XLogP3.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803951
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 16512644
2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139420
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982074
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803995
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7804021
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 679560

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (CID 40564745) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate is Cc1c(Cl)cccc1NC(=O)COC(=O)COc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The InChIKey is DQBIQIQMEPYAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-11-14(19)6-3-7-15(11)20-16(21)9-24-17(22)10-23-13-5-2-4-12(18)8-13/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate has a molecular weight of 368.22 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 40564745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).