methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate

C16H12Cl2N2O4 — CID 108987050

IUPACmethyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H12Cl2N2O4/c1-24-16(23)9-6-7-11(18)13(8-9)20-15(22)14(21)19-12-5-3-2-4-10(12)17/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyLNZITXVMGHJLHS-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.36
Rot. Bonds3

About methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate

methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate (PubChem CID 108987050) has the molecular formula C16H12Cl2N2O4 and a molecular weight of 367.19 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
PubChem CID108987050
Molecular FormulaC16H12Cl2N2O4
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC Namemethyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H12Cl2N2O4/c1-24-16(23)9-6-7-11(18)13(8-9)20-15(22)14(21)19-12-5-3-2-4-10(12)17/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyLNZITXVMGHJLHS-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-chloro-3-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108987118
methyl 4-chloro-3-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108987036
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
methyl 3-[[2-(azepan-1-yl)-2-oxoacetyl]amino]-4-chlorobenzoate
CID 108986672
methyl 4-chloro-3-[[2-[2-(2-fluorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985259
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
CID 43404884
methyl 4-chloro-3-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108986502
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate (CID 108987050) is methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate?
The InChIKey is LNZITXVMGHJLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4/c1-24-16(23)9-6-7-11(18)13(8-9)20-15(22)14(21)19-12-5-3-2-4-10(12)17/h2-8H,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate?
methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate has a molecular weight of 367.19 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108987050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).