[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate

C16H13Cl2NO3 — CID 2489040

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-10-5-7-11(8-6-10)19-14(20)9-22-16(21)15-12(17)3-2-4-13(15)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyTYYNBHOSKNDZNN-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.10
Rot. Bonds4

About [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 2489040) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID2489040
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-10-5-7-11(8-6-10)19-14(20)9-22-16(21)15-12(17)3-2-4-13(15)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyTYYNBHOSKNDZNN-UHFFFAOYSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723836
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723823
(2-anilino-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663098
[2-(4-tert-butylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820713
[2-(3-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723782
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 16624736
[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 2715251
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2,6-dichlorobenzoate
CID 2489065
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 2489040) is [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate is Cc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is TYYNBHOSKNDZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-10-5-7-11(8-6-10)19-14(20)9-22-16(21)15-12(17)3-2-4-13(15)18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 338.19 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2489040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).