ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate

C10H8BrCl2NO3 — CID 60893377

IUPACethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H8BrCl2NO3/c1-2-17-10(16)9(15)14-8-6(12)3-5(11)4-7(8)13/h3-4H,2H2,1H3,(H,14,15)
InChIKeyBEZRHOXKHWRLIR-UHFFFAOYSA-N
MW340.99 g/mol
LogP3.26
Rot. Bonds2

About ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate

ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate (PubChem CID 60893377) has the molecular formula C10H8BrCl2NO3 and a molecular weight of 340.99 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
PubChem CID60893377
Molecular FormulaC10H8BrCl2NO3
Molecular Weight340.99 g/mol
Exact Mass338.91
IUPAC Nameethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H8BrCl2NO3/c1-2-17-10(16)9(15)14-8-6(12)3-5(11)4-7(8)13/h3-4H,2H2,1H3,(H,14,15)
InChIKeyBEZRHOXKHWRLIR-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.99
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2,6-dichloro-4-fluoroanilino)-2-oxoacetate
CID 83078471
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
CID 83087259
ethyl 2-[2,4-dichloro-5-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
CID 12897311
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
ethyl 2-[2-chloro-3-[(2-ethoxy-2-oxoacetyl)amino]-5-methylanilino]-2-oxoacetate
CID 12897321
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
1-(4-bromo-2,6-dichlorophenyl)-3-propylurea
CID 115571566
methyl 2-oxo-2-(2,4,6-trichloroanilino)acetate
CID 112683063
(3Z)-3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-hydroxyiminopropanamide
CID 43155915
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide
CID 62671003
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate (CID 60893377) is ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate?
The InChIKey is BEZRHOXKHWRLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2NO3/c1-2-17-10(16)9(15)14-8-6(12)3-5(11)4-7(8)13/h3-4H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate?
ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate has a molecular weight of 340.99 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate is sourced from PubChem (CID 60893377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).