methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate

C17H16Cl2N2O3 — CID 24825640

IUPACmethyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-10-7-8-12(18)16(15(10)19)21-13-6-4-3-5-11(13)17(23)20-9-14(22)24-2/h3-8,21H,9H2,1-2H3,(H,20,23)
InChIKeyYMFGAYPNXNJNBI-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.95
Rot. Bonds5

About methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate

methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate (PubChem CID 24825640) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate
PubChem CID24825640
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Namemethyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-10-7-8-12(18)16(15(10)19)21-13-6-4-3-5-11(13)17(23)20-9-14(22)24-2/h3-8,21H,9H2,1-2H3,(H,20,23)
InChIKeyYMFGAYPNXNJNBI-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate (CID 24825640) is methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate?
The InChIKey is YMFGAYPNXNJNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-10-7-8-12(18)16(15(10)19)21-13-6-4-3-5-11(13)17(23)20-9-14(22)24-2/h3-8,21H,9H2,1-2H3,(H,20,23).
What are the key properties of methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate?
methyl 2-[[2-(2,6-dichloro-3-methylanilino)benzoyl]amino]acetate has a molecular weight of 367.23 g/mol, XLogP of 3.95, 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-dichloro-3-methylanilino)benzoyl]amino]acetate is sourced from PubChem (CID 24825640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).