[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C17H15Cl2NO4 — CID 2378568

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-11-6-7-12(18)8-14(11)20-16(21)9-24-17(22)10-23-15-5-3-2-4-13(15)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyNEVYJIVPRQWWBT-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.86
Rot. Bonds6

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 2378568) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID2378568
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-11-6-7-12(18)8-14(11)20-16(21)9-24-17(22)10-23-15-5-3-2-4-13(15)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyNEVYJIVPRQWWBT-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-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
N-(5-chloro-2-methylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770477
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
N-(5-bromo-2-methylphenyl)-2-(2-chlorophenoxy)acetamide
CID 55804154
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795375
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 4937449
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-dimethylbutanoate
CID 2349949

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 2378568) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is Cc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccccc1Cl.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is NEVYJIVPRQWWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-11-6-7-12(18)8-14(11)20-16(21)9-24-17(22)10-23-15-5-3-2-4-13(15)19/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-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-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 2378568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).