2-(5-chloro-2-methoxyanilino)-2-oxoacetate

C9H7ClNO4- — CID 2300901

IUPAC2-(5-chloro-2-methoxyanilino)-2-oxoacetate
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)[O-]
InChIInChI=1S/C9H8ClNO4/c1-15-7-3-2-5(10)4-6(7)11-8(12)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyQMLKYGBXGRAIKU-UHFFFAOYSA-M
MW228.61 g/mol
LogP0.04
Rot. Bonds2

About 2-(5-chloro-2-methoxyanilino)-2-oxoacetate

2-(5-chloro-2-methoxyanilino)-2-oxoacetate (PubChem CID 2300901) has the molecular formula C9H7ClNO4- and a molecular weight of 228.61 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-2-oxoacetate.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-2-oxoacetate
PubChem CID2300901
Molecular FormulaC9H7ClNO4-
Molecular Weight228.61 g/mol
Exact Mass228.01
IUPAC Name2-(5-chloro-2-methoxyanilino)-2-oxoacetate
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)[O-]
InChIInChI=1S/C9H8ClNO4/c1-15-7-3-2-5(10)4-6(7)11-8(12)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyQMLKYGBXGRAIKU-UHFFFAOYSA-M
XLogP0.04
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
N-(5-chloro-2-methoxyphenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108502213
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184
N-(4-amino-3-chlorophenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502189
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-2-oxoacetate?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-2-oxoacetate (CID 2300901) is 2-(5-chloro-2-methoxyanilino)-2-oxoacetate.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-2-oxoacetate?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-2-oxoacetate is COc1ccc(Cl)cc1NC(=O)C(=O)[O-].
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-2-oxoacetate?
The InChIKey is QMLKYGBXGRAIKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8ClNO4/c1-15-7-3-2-5(10)4-6(7)11-8(12)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)/p-1.
What are the key properties of 2-(5-chloro-2-methoxyanilino)-2-oxoacetate?
2-(5-chloro-2-methoxyanilino)-2-oxoacetate has a molecular weight of 228.61 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-2-oxoacetate is sourced from PubChem (CID 2300901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).