[2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate

C10H9Cl2NO3 — CID 2491227

IUPAC[2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESCNC(=O)COC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c1-13-9(14)5-16-10(15)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,14)
InChIKeyRLIGNAOISKHJNV-UHFFFAOYSA-N
MW262.09 g/mol
LogP1.90
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate

[2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate (PubChem CID 2491227) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate
PubChem CID2491227
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name[2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESCNC(=O)COC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c1-13-9(14)5-16-10(15)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,14)
InChIKeyRLIGNAOISKHJNV-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 51.90
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] 3,4-dichlorobenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate (CID 2491227) is [2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate is CNC(=O)COC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate?
The InChIKey is RLIGNAOISKHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-13-9(14)5-16-10(15)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate?
[2-(methylamino)-2-oxoethyl] 3,4-dichlorobenzoate has a molecular weight of 262.09 g/mol, XLogP of 1.90, 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] 3,4-dichlorobenzoate is sourced from PubChem (CID 2491227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).