[2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

C11H12Cl2N2O3 — CID 2436981

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCN(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C11H12Cl2N2O3/c1-15(2)9(16)5-18-11(17)7-3-6(12)4-8(13)10(7)14/h3-4H,5,14H2,1-2H3
InChIKeyUQPDOVJIZTWALY-UHFFFAOYSA-N
MW291.13 g/mol
LogP1.82
Rot. Bonds3

About [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

[2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (PubChem CID 2436981) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
PubChem CID2436981
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCN(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C11H12Cl2N2O3/c1-15(2)9(16)5-18-11(17)7-3-6(12)4-8(13)10(7)14/h3-4H,5,14H2,1-2H3
InChIKeyUQPDOVJIZTWALY-UHFFFAOYSA-N
XLogP1.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (CID 2436981) is [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is CN(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The InChIKey is UQPDOVJIZTWALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-15(2)9(16)5-18-11(17)7-3-6(12)4-8(13)10(7)14/h3-4H,5,14H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
[2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate has a molecular weight of 291.13 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 2436981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).