methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate

C12H13ClFNO3 — CID 43407406

IUPACmethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3
InChIKeyDSCAHUSPCXCKLU-UHFFFAOYSA-N
MW273.69 g/mol
LogP1.65
Rot. Bonds4

About methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate

methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate (PubChem CID 43407406) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate
PubChem CID43407406
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Namemethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3
InChIKeyDSCAHUSPCXCKLU-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate (CID 43407406) is methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate?
The InChIKey is DSCAHUSPCXCKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate?
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate has a molecular weight of 273.69 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-methylamino]acetate is sourced from PubChem (CID 43407406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).