(2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate

C13H14Cl2N2O4 — CID 2095375

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
SMILESNc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C13H14Cl2N2O4/c14-8-5-9(12(16)10(15)6-8)13(19)21-7-11(18)17-1-3-20-4-2-17/h5-6H,1-4,7,16H2
InChIKeyBCVGFPSQZFKPQG-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.59
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate

(2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate (PubChem CID 2095375) has the molecular formula C13H14Cl2N2O4 and a molecular weight of 333.17 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
PubChem CID2095375
Molecular FormulaC13H14Cl2N2O4
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
SMILESNc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C13H14Cl2N2O4/c14-8-5-9(12(16)10(15)6-8)13(19)21-7-11(18)17-1-3-20-4-2-17/h5-6H,1-4,7,16H2
InChIKeyBCVGFPSQZFKPQG-UHFFFAOYSA-N
XLogP1.59
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-Morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate
CID 2097201
[2-(Cyclopropylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2098298
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate
CID 2371630
(2-Amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
CID 2389454
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2390725
[2-[2-Cyanoethyl(methyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2399414
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2627495
[2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 3472299
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 4568191
(2-Morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 2086267
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-chloro-2-nitrobenzoate
CID 4306041
[2-[(2-Methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2106737

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate (CID 2095375) is (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate is Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate?
The InChIKey is BCVGFPSQZFKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4/c14-8-5-9(12(16)10(15)6-8)13(19)21-7-11(18)17-1-3-20-4-2-17/h5-6H,1-4,7,16H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate has a molecular weight of 333.17 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 2095375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).