methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate

C13H17ClN2O3 — CID 60660360

IUPACmethyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C13H17ClN2O3/c1-9-4-5-10(14)6-11(9)15-12(17)7-16(2)8-13(18)19-3/h4-6H,7-8H2,1-3H3,(H,15,17)
InChIKeyHZWVVILLJOXJTP-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.69
Rot. Bonds5

About methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate (PubChem CID 60660360) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
PubChem CID60660360
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namemethyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C13H17ClN2O3/c1-9-4-5-10(14)6-11(9)15-12(17)7-16(2)8-13(18)19-3/h4-6H,7-8H2,1-3H3,(H,15,17)
InChIKeyHZWVVILLJOXJTP-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate with MolForge

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Related Compounds

2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053943
N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711369
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
2-[azetidin-3-yl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 66186447
2-(N-acetyl-4-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113171587

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate (CID 60660360) is methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate is COC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate?
The InChIKey is HZWVVILLJOXJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-9-4-5-10(14)6-11(9)15-12(17)7-16(2)8-13(18)19-3/h4-6H,7-8H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate has a molecular weight of 284.74 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 60660360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).