methyl 2-(2,5-dichloroanilino)-2-oxoacetate

C9H7Cl2NO3 — CID 11543309

IUPACmethyl 2-(2,5-dichloroanilino)-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c1-15-9(14)8(13)12-7-4-5(10)2-3-6(7)11/h2-4H,1H3,(H,12,13)
InChIKeyVXVMGLNJXOSBDD-UHFFFAOYSA-N
MW248.06 g/mol
LogP2.10
Rot. Bonds1

About methyl 2-(2,5-dichloroanilino)-2-oxoacetate

methyl 2-(2,5-dichloroanilino)-2-oxoacetate (PubChem CID 11543309) has the molecular formula C9H7Cl2NO3 and a molecular weight of 248.06 g/mol. Its IUPAC name is methyl 2-(2,5-dichloroanilino)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dichloroanilino)-2-oxoacetate
PubChem CID11543309
Molecular FormulaC9H7Cl2NO3
Molecular Weight248.06 g/mol
Exact Mass246.98
IUPAC Namemethyl 2-(2,5-dichloroanilino)-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c1-15-9(14)8(13)12-7-4-5(10)2-3-6(7)11/h2-4H,1H3,(H,12,13)
InChIKeyVXVMGLNJXOSBDD-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 52.10
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

methyl 2-(5-chloro-2-fluoroanilino)-2-oxoacetate
CID 112616665
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
(E)-N-(2,5-dichlorophenyl)-3-methoxy-2-(4-methylanilino)but-2-enamide
CID 5370699
methyl 2-[5-chloro-2-(dioxazol-3-yl)anilino]-2-oxoacetate
CID 175509793
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
(2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274928
methyl 2-(4-bromo-2-chloroanilino)-2-oxoacetate
CID 112683071
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
diethyl 2-[(2,5-dichloroanilino)-iodomethylidene]propanedioate
CID 88680000

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dichloroanilino)-2-oxoacetate?
The IUPAC name of methyl 2-(2,5-dichloroanilino)-2-oxoacetate (CID 11543309) is methyl 2-(2,5-dichloroanilino)-2-oxoacetate.
What is the SMILES notation for methyl 2-(2,5-dichloroanilino)-2-oxoacetate?
The canonical SMILES for methyl 2-(2,5-dichloroanilino)-2-oxoacetate is COC(=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-(2,5-dichloroanilino)-2-oxoacetate?
The InChIKey is VXVMGLNJXOSBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO3/c1-15-9(14)8(13)12-7-4-5(10)2-3-6(7)11/h2-4H,1H3,(H,12,13).
What are the key properties of methyl 2-(2,5-dichloroanilino)-2-oxoacetate?
methyl 2-(2,5-dichloroanilino)-2-oxoacetate has a molecular weight of 248.06 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dichloroanilino)-2-oxoacetate is sourced from PubChem (CID 11543309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).