methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate

C11H11ClN2O3 — CID 43190830

IUPACmethyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate
SMILESCOC(=O)CNC1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClN2O3/c1-17-9(15)5-13-10-7-4-6(12)2-3-8(7)14-11(10)16/h2-4,10,13H,5H2,1H3,(H,14,16)
InChIKeySYGBUOYFIJSPSL-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.10
Rot. Bonds3

About methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate

methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate (PubChem CID 43190830) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate
PubChem CID43190830
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Namemethyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate
SMILESCOC(=O)CNC1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClN2O3/c1-17-9(15)5-13-10-7-4-6(12)2-3-8(7)14-11(10)16/h2-4,10,13H,5H2,1H3,(H,14,16)
InChIKeySYGBUOYFIJSPSL-UHFFFAOYSA-N
XLogP1.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate (CID 43190830) is methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate is COC(=O)CNC1C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate?
The InChIKey is SYGBUOYFIJSPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-17-9(15)5-13-10-7-4-6(12)2-3-8(7)14-11(10)16/h2-4,10,13H,5H2,1H3,(H,14,16).
What are the key properties of methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate?
methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate has a molecular weight of 254.67 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate is sourced from PubChem (CID 43190830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).