methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate

C16H14Cl2N2O3 — CID 109010077

IUPACmethyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)10-5-2-3-8-13(10)19-9-14(21)20-15-11(17)6-4-7-12(15)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyPHGCNEYQGCMWQF-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.83
Rot. Bonds5

About methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate

methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate (PubChem CID 109010077) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
PubChem CID109010077
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Namemethyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-23-16(22)10-5-2-3-8-13(10)19-9-14(21)20-15-11(17)6-4-7-12(15)18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyPHGCNEYQGCMWQF-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 2-[[3-(2,6-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956315
methyl 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471980
methyl 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 37472030
methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471922
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
methyl 2-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 55434513
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 47122957
methyl 2-[3-(2-chloroanilino)propanoylamino]benzoate
CID 109037899

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate (CID 109010077) is methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1NCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is PHGCNEYQGCMWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-16(22)10-5-2-3-8-13(10)19-9-14(21)20-15-11(17)6-4-7-12(15)18/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate?
methyl 2-[[2-(2,6-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 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109010077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).