methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate

C16H14Cl2N2O3 — CID 9083030

IUPACmethyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)10-2-5-12(6-3-10)19-9-15(21)20-14-8-11(17)4-7-13(14)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyRZRWJUHDVQXGLU-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.83
Rot. Bonds5

About methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate

methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate (PubChem CID 9083030) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
PubChem CID9083030
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Namemethyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)10-2-5-12(6-3-10)19-9-15(21)20-14-8-11(17)4-7-13(14)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyRZRWJUHDVQXGLU-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate
CID 109009875
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
N-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)acetamide
CID 54813314
methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186
methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
methyl 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104322
N-(2,5-dichlorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841411
methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
CID 109010264
methyl 4-[[3-(2,4-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956377
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate (CID 9083030) is methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is RZRWJUHDVQXGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-16(22)10-2-5-12(6-3-10)19-9-15(21)20-14-8-11(17)4-7-13(14)18/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate?
methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 353.21 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 9083030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).