[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate

C18H17Cl2NO3 — CID 55314052

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate
SMILESCC(C)N(C(=O)COC(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-12(2)21(13-7-4-3-5-8-13)16(22)11-24-18(23)17-14(19)9-6-10-15(17)20/h3-10,12H,11H2,1-2H3
InChIKeyQMBCZWMATGWTIV-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.59
Rot. Bonds5

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate (PubChem CID 55314052) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate
PubChem CID55314052
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate
SMILESCC(C)N(C(=O)COC(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-12(2)21(13-7-4-3-5-8-13)16(22)11-24-18(23)17-14(19)9-6-10-15(17)20/h3-10,12H,11H2,1-2H3
InChIKeyQMBCZWMATGWTIV-UHFFFAOYSA-N
XLogP4.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
CID 7472403
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-chloro-3-methylsulfonylbenzoate
CID 41423539
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2407936
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27142395
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 46543538
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
CID 2397528
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066604
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 5-nitrothiophene-2-carboxylate
CID 7459085
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 2083757

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate (CID 55314052) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate is CC(C)N(C(=O)COC(=O)c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate?
The InChIKey is QMBCZWMATGWTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-12(2)21(13-7-4-3-5-8-13)16(22)11-24-18(23)17-14(19)9-6-10-15(17)20/h3-10,12H,11H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate has a molecular weight of 366.24 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 55314052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).