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

C17H15Cl2NO3 — CID 8633182

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-11-6-7-13(9-15(11)19)20-16(21)10-23-17(22)8-12-4-2-3-5-14(12)18/h2-7,9H,8,10H2,1H3,(H,20,21)
InChIKeyDEDSBCFRRNBWQO-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.03
Rot. Bonds5

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

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate (PubChem CID 8633182) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
PubChem CID8633182
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-11-6-7-13(9-15(11)19)20-16(21)10-23-17(22)8-12-4-2-3-5-14(12)18/h2-7,9H,8,10H2,1H3,(H,20,21)
InChIKeyDEDSBCFRRNBWQO-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7833001
(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
CID 8633215
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792811
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132866
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-chlorophenyl)acetate
CID 8633119
N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633461
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984759

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate (CID 8633182) is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate is Cc1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The InChIKey is DEDSBCFRRNBWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-11-6-7-13(9-15(11)19)20-16(21)10-23-17(22)8-12-4-2-3-5-14(12)18/h2-7,9H,8,10H2,1H3,(H,20,21).
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate?
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate has a molecular weight of 352.22 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 8633182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).