[2-(methylamino)-2-oxoethyl] 2-chlorobenzoate

C10H10ClNO3 — CID 2397954

IUPAC[2-(methylamino)-2-oxoethyl] 2-chlorobenzoate
SMILESCNC(=O)COC(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO3/c1-12-9(13)6-15-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyCZLXAIRJTROUDB-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.24
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate

[2-(methylamino)-2-oxoethyl] 2-chlorobenzoate (PubChem CID 2397954) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-chlorobenzoate
PubChem CID2397954
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-chlorobenzoate
SMILESCNC(=O)COC(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO3/c1-12-9(13)6-15-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyCZLXAIRJTROUDB-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate (CID 2397954) is [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate is CNC(=O)COC(=O)c1ccccc1Cl.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is CZLXAIRJTROUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-12-9(13)6-15-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate?
[2-(methylamino)-2-oxoethyl] 2-chlorobenzoate has a molecular weight of 227.65 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 2397954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).